N-(4-cyanophenyl)-5-methyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-5-methyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
N-(4-cyanophenyl)-5-methyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S420-0400 |
| Compound Name: | N-(4-cyanophenyl)-5-methyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | CN1C2CCCCN2C(c2ccc(cc12)C(Nc1ccc(C#N)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.409 |
| logD: | 2.4086 |
| logSw: | -3.1367 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.436 |
| InChI Key: | HYLSOEIRRKEFCH-IBGZPJMESA-N |