N-benzyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-benzyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-benzyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | M249-0011 |
| Compound Name: | N-benzyl-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C22 H25 N3 O3 |
| Smiles: | C1CCN(C1)C(c1ccc2c(CN(CCO2)C(NCc2ccccc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.497 |
| logD: | 2.497 |
| logSw: | -3.0168 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.988 |
| InChI Key: | RBIIMWZJJRMMJD-UHFFFAOYSA-N |