Products for Research Use Only
RegisterLogin

CZ415

CAT: 0926-EHC63950-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-EHC63950-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1429639-50-8
MDL Number
MFCD30533321
Smiles
CCNC (=O) NC1=CC=C (C=C1) C2=NC3=C (CS (=O) (=O) C3 (C) C) C (=N2) N4CCOC[C@@H]4C
Molecular Formula
C22H29N5O4S
Molecular Weight
459.56 g/mol
Controlled
No

Chemical Information

(S)-1-(4-(7,7-dimethyl-4-(3-methylmorpholino)-6,6-dioxido-5,7-dihydrothieno(3,4-d)pyrimidin-2-yl)phenyl)-3-ethylurea
CAS Number1429639-50-8
PubChem CID71547699
IUPAC Name1-[4-[7,7-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6,6-dioxo-5H-thieno[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea
Molecular FormulaC22H29N5O4S
Molecular Weight459.6
XLogP1.1
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity778
SMILES
CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CS(=O)(=O)C3(C)C)C(=N2)N4CCOC[C@@H]4C
InChI
InChI=1S/C22H29N5O4S/c1-5-23-21(28)24-16-8-6-15(7-9-16)19-25-18-17(13-32(29,30)22(18,3)4)20(26-19)27-10-11-31-12-14(27)2/h6-9,14H,5,10-13H2,1-4H3,(H2,23,24,28)/t14-/m0/s1
InChIKey
IZLPVLBNRGPOHA-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-(4-(7,7-dimethyl-4-(3-methylmorpholino)-6,6-dioxido-5,7-dihydrothieno(3,4-d)pyrimidin-2-yl)phenyl)-3-ethylurea
CAS: 1429639-50-8
CID: 71547699
Formula: C22H29N5O4S
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass459.19402560
Monoisotopic Mass459.19402560
Topological Polar Surface Area122 Ų
Heavy Atom Count32
Formal Charge0
Complexity778
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1726-5CZ415
HY-100222RCZ415 (Standard)
A16476-10CZ415 10mg
A16476-1CZ415 1mg
A16476-100CZ415 100mg
A16476-5CZ415 5mg
A16476-2CZ415 2mg
A16476-50CZ415 50mg
A16476-25CZ415 25mg
A16476-200CZ415 200mg

Popular Products