N-(4-bromophenyl)-N-methyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-N-methyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
N-(4-bromophenyl)-N-methyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | C849-0476 |
| Compound Name: | N-(4-bromophenyl)-N-methyl-12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline-3-carboxamide |
| Molecular Weight: | 426.31 |
| Molecular Formula: | C21 H20 Br N3 O2 |
| Smiles: | CN(C(c1ccc2C(N3CCCCCC3=Nc2c1)=O)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.1828 |
| logD: | 3.1828 |
| logSw: | -3.4896 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.089 |
| InChI Key: | STHHMTAPYDEGAD-UHFFFAOYSA-N |