N-[3-(methylsulfanyl)phenyl]-11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazoline-3-carboxamide
N-[3-(methylsulfanyl)phenyl]-11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | E475-0184 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-11-oxo-6,8,9,11-tetrahydro-7H-pyrido[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C20 H19 N3 O2 S |
| Smiles: | CSc1cccc(c1)NC(c1ccc2C(N3CCCCC3=Nc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7469 |
| logD: | 2.7467 |
| logSw: | -3.5384 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.48 |
| InChI Key: | DZOHHJKMIAIRLL-UHFFFAOYSA-N |