N-(2-phenylethyl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-(2-phenylethyl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-(2-phenylethyl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | M249-0025 |
| Compound Name: | N-(2-phenylethyl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C23 H27 N3 O3 |
| Smiles: | C1CCN(C1)C(c1ccc2c(CN(CCO2)C(NCCc2ccccc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9136 |
| logD: | 2.9136 |
| logSw: | -3.4526 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.83 |
| InChI Key: | RDYOUYRLTRMYIU-UHFFFAOYSA-N |