N-[(4-bromophenyl)methyl]-5-ethyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-5-ethyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
N-[(4-bromophenyl)methyl]-5-ethyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S420-0569 |
| Compound Name: | N-[(4-bromophenyl)methyl]-5-ethyl-11-oxo-5,6,7,8,9,11-hexahydro-5aH-pyrido[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 442.35 |
| Molecular Formula: | C22 H24 Br N3 O2 |
| Smiles: | CCN1C2CCCCN2C(c2ccc(cc12)C(NCc1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8759 |
| logD: | 3.8759 |
| logSw: | -3.9404 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.661 |
| InChI Key: | LQUAUWBDHULSMO-FQEVSTJZSA-N |