N-(2-phenylethyl)-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-(2-phenylethyl)-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-(2-phenylethyl)-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | T634-0303 |
| Compound Name: | N-(2-phenylethyl)-7-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C23 H29 N3 O2 |
| Smiles: | C1CCN(C1)Cc1ccc2c(CN(CCO2)C(NCCc2ccccc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.3764 |
| logD: | 1.3149 |
| logSw: | -3.4755 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.914 |
| InChI Key: | JWKSOGZNNWJFIT-UHFFFAOYSA-N |