N-(butan-2-yl)-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-(butan-2-yl)-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0305 |
| Compound Name: | N-(butan-2-yl)-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 331.46 |
| Molecular Formula: | C19 H29 N3 O2 |
| Smiles: | CCC(C)NC(N1CCOc2ccc(CN3CCCC3)cc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8532 |
| logD: | 0.7917 |
| logSw: | -3.1987 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.785 |
| InChI Key: | IOSAZSNIROJJDF-HNNXBMFYSA-N |