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L-765314 100mg

CAT: 0628-A20592-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A20592-100Size:100 mg
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CAS Number
189349-50-6

Chemical Information

L-765314

structure given in first source

CAS Number189349-50-6
PubChem CID6603904
IUPAC Namebenzyl (2S)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-(tert-butylcarbamoyl)piperazine-1-carboxylate
Molecular FormulaC27H34N6O5
Molecular Weight522.6
XLogP3.1
Topological Polar Surface Area132
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity803
SMILES
CC(C)(C)NC(=O)[C@@H]1CN(CCN1C(=O)OCC2=CC=CC=C2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC
InChI
InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1
InChIKey
CGWOIDCAGBKOQL-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of L-765314
CAS: 189349-50-6
CID: 6603904
Formula: C27H34N6O5
MW: 522.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight522.6
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass522.25906821
Monoisotopic Mass522.25906821
Topological Polar Surface Area132 Ų
Heavy Atom Count38
Formal Charge0
Complexity803
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

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