N-(3-chlorophenyl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
N-(3-chlorophenyl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
Compound characteristics
| Compound ID: | M249-0057 |
| Compound Name: | N-(3-chlorophenyl)-7-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C21 H22 Cl N3 O3 |
| Smiles: | C1CCN(C1)C(c1ccc2c(CN(CCO2)C(Nc2cccc(c2)[Cl])=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6231 |
| logD: | 3.6231 |
| logSw: | -3.8902 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.666 |
| InChI Key: | DUVJSEUHRLHTHD-UHFFFAOYSA-N |