N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | Y504-5297 |
| Compound Name: | N-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C27 H22 N4 O2 S |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(Nc1nc(cs1)c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.05 |
| logD: | 5.047 |
| logSw: | -5.5079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.314 |
| InChI Key: | KCOVCPMKLJXRIB-UHFFFAOYSA-N |