3-[4-(1-methyl-1H-imidazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-[4-(1-methyl-1H-imidazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
3-[4-(1-methyl-1H-imidazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2333 |
| Compound Name: | 3-[4-(1-methyl-1H-imidazole-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C21 H26 N4 O3 |
| Smiles: | Cn1cc(C(N2CCOc3ccc(CCC(N4CCCC4)=O)cc3C2)=O)nc1 |
| Stereo: | ACHIRAL |
| logP: | 1.5591 |
| logD: | 1.5591 |
| logSw: | -1.9169 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.954 |
| InChI Key: | AHOUQXGHYXMTQQ-UHFFFAOYSA-N |