N-cyclohexyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-cyclohexyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | M249-0047 |
| Compound Name: | N-cyclohexyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C21 H29 N3 O3 |
| Smiles: | C1CCC(CC1)NC(N1CCOc2ccc(cc2C1)C(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.196 |
| logD: | 3.196 |
| logSw: | -3.2597 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.714 |
| InChI Key: | DNNGMJKQPLJUDQ-UHFFFAOYSA-N |