N-(cyclopropylmethyl)-3-[4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-3-[4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-(cyclopropylmethyl)-3-[4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-2084 |
| Compound Name: | N-(cyclopropylmethyl)-3-[4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C22 H28 N4 O3 |
| Smiles: | Cc1cc(C(N2CCOc3ccc(CCC(NCC4CC4)=O)cc3C2)=O)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.6257 |
| logD: | 1.6257 |
| logSw: | -2.3319 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.876 |
| InChI Key: | RTFNWCKFVHJOMU-UHFFFAOYSA-N |