N-benzyl-4-(pyridine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-(pyridine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-(pyridine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M248-0395 |
| Compound Name: | N-benzyl-4-(pyridine-4-carbonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C23 H21 N3 O3 |
| Smiles: | C(c1ccccc1)NC(c1ccc2c(CN(CCO2)C(c2ccncc2)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1948 |
| logD: | 2.1924 |
| logSw: | -2.7445 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.673 |
| InChI Key: | YOKLTSPXSRVXKW-UHFFFAOYSA-N |