12-oxo-N-[(1-phenylcyclopentyl)methyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
12-oxo-N-[(1-phenylcyclopentyl)methyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
12-oxo-N-[(1-phenylcyclopentyl)methyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0538 |
| Compound Name: | 12-oxo-N-[(1-phenylcyclopentyl)methyl]-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C26 H29 N3 O2 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(NCC1(CCCC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9742 |
| logD: | 3.9742 |
| logSw: | -4.1348 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.42 |
| InChI Key: | WGIZXSHFHXKKBT-UHFFFAOYSA-N |