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CAY10657

CAT: 0013-GTR19189963-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189963-01Size:1 mg
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Description
CAY10657
CAS Number
494772-86-0
Field of Research
Signal Transduction
Smiles
NC (=O) Nc1cc (sc1C (N) =O) -c1ccc (CN2CCOCC2) cc1
Molecular Formula
C17H20N4O3S
Molecular Weight
360.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[(Aminocarbonyl)amino]-5-[4-(4-morpholinylmethyl)phenyl]-2-thiophenecarboxamide
CAS Number494772-86-0
PubChem CID9968854
IUPAC Name3-(carbamoylamino)-5-[4-(morpholin-4-ylmethyl)phenyl]thiophene-2-carboxamide
Molecular FormulaC17H20N4O3S
Molecular Weight360.4
XLogP1.1
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity479
SMILES
C1COCCN1CC2=CC=C(C=C2)C3=CC(=C(S3)C(=O)N)NC(=O)N
InChI
InChI=1S/C17H20N4O3S/c18-16(22)15-13(20-17(19)23)9-14(25-15)12-3-1-11(2-4-12)10-21-5-7-24-8-6-21/h1-4,9H,5-8,10H2,(H2,18,22)(H3,19,20,23)
InChIKey
MOWJKFWTFZWXHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[(Aminocarbonyl)amino]-5-[4-(4-morpholinylmethyl)phenyl]-2-thiophenecarboxamide
CAS: 494772-86-0
CID: 9968854
Formula: C17H20N4O3S
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass360.12561169
Monoisotopic Mass360.12561169
Topological Polar Surface Area139 Ų
Heavy Atom Count25
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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