BIAdb CID2487985 1747

BIAdb CID2487985 1747
Systematic (IUPAC) name
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
Identifiers
CAS number	?
ATC code	?
PubChem	2487985
Chemical data
Formula	C₂₄H₂₄ClN₃O₄S
Mol. mass	485.98306
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

485.98306

*Exact Mass

485.117605

*Molecular Formula

C₂₄H₂₄ClN₃O₄S

*IUPAC NAME

(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

*Canonical Smiles

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3C5CCCC5

*Isomeric Smiles

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3C5CCCC5

*XLogP

4.8

*Hydrogen bond donor

1

*Hydrogen bond acceptor

5

*Rotational Bond Count

6

*Topological Polar Surface Area

80.2