N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S420-0330 |
| Compound Name: | N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 401.87 |
| Molecular Formula: | C21 H21 Cl F N3 O2 |
| Smiles: | CN1C2CCCCN2C(c2ccc(cc12)C(NCc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0354 |
| logD: | 3.0354 |
| logSw: | -3.6391 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.701 |
| InChI Key: | BNTPVRKETOGBHN-IBGZPJMESA-N |