N-benzyl-4-[(furan-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-[(furan-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-benzyl-4-[(furan-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0302 |
| Compound Name: | N-benzyl-4-[(furan-3-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C22 H22 N2 O3 |
| Smiles: | C(c1ccccc1)NC(c1ccc2c(CN(CCO2)Cc2ccoc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0815 |
| logD: | 1.9985 |
| logSw: | -3.3263 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.132 |
| InChI Key: | KYTQKUGHKBEIHT-UHFFFAOYSA-N |