N-(4-carbamoylphenyl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-carbamoylphenyl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(4-carbamoylphenyl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | S413-0034 |
| Compound Name: | N-(4-carbamoylphenyl)-5-ethyl-12-oxo-5,5a,6,7,8,9,10,12-octahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C23 H26 N4 O3 |
| Smiles: | CCN1C2CCCCCN2C(c2ccc(cc12)C(Nc1ccc(cc1)C(N)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5179 |
| logD: | 2.5174 |
| logSw: | -3.1273 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.728 |
| InChI Key: | RRCXTLQYYFCQLD-FQEVSTJZSA-N |