N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0664 |
| Compound Name: | N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 434.88 |
| Molecular Formula: | C23 H19 Cl N4 O3 |
| Smiles: | C1CCC2=Nc3cc(ccc3C(N2CC1)=O)C(Nc1cc(c2cccc(c2)[Cl])no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0455 |
| logD: | 4.0358 |
| logSw: | -4.471 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.092 |
| InChI Key: | SKMXKZXDADPIHU-UHFFFAOYSA-N |