N-{2-[4-(methylsulfanyl)phenyl]ethyl}-11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazoline-3-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | E475-0301 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | CSc1ccc(CCNC(c2ccc3C(N4CCCCC4=Nc3c2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6047 |
| logD: | 2.6046 |
| logSw: | -3.2702 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.644 |
| InChI Key: | HWAWPNOWCRLEOT-UHFFFAOYSA-N |