N-[(2-fluorophenyl)methyl]-4-[(1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-4-[(1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
N-[(2-fluorophenyl)methyl]-4-[(1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M400-0174 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-4-[(1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C21 H20 F N3 O2 S |
| Smiles: | C(c1ccccc1F)NC(c1ccc2c(CN(CCO2)Cc2cncs2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.329 |
| logD: | 3.1663 |
| logSw: | -3.3832 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.427 |
| InChI Key: | CUJINFOCOVHPRZ-UHFFFAOYSA-N |