N-benzyl-4-[(thiophen-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[(thiophen-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-[(thiophen-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0247 |
| Compound Name: | N-benzyl-4-[(thiophen-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C22 H22 N2 O2 S |
| Smiles: | C(c1ccccc1)NC(c1ccc2c(CN(CCO2)Cc2ccsc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6971 |
| logD: | 3.1854 |
| logSw: | -4.0522 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.347 |
| InChI Key: | PHADHXGGTJEKQU-UHFFFAOYSA-N |