3-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide
Chemical Structure Depiction of
3-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide
3-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide
Compound characteristics
| Compound ID: | S629-1145 |
| Compound Name: | 3-[4-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]-N,N-dimethylpropanamide |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C20 H26 N4 O3 |
| Smiles: | Cc1cc(C(N2CCOc3ccc(CCC(N(C)C)=O)cc3C2)=O)nn1C |
| Stereo: | ACHIRAL |
| logP: | 1.0515 |
| logD: | 1.0515 |
| logSw: | -2.0199 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.791 |
| InChI Key: | ZGOXITLNTVLCLC-UHFFFAOYSA-N |