4-(4-acetylbenzene-1-sulfonyl)-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Chemical Structure Depiction of
4-(4-acetylbenzene-1-sulfonyl)-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
4-(4-acetylbenzene-1-sulfonyl)-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide
Compound characteristics
| Compound ID: | M250-0177 |
| Compound Name: | 4-(4-acetylbenzene-1-sulfonyl)-N-[(2-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-carboxamide |
| Molecular Weight: | 482.53 |
| Molecular Formula: | C25 H23 F N2 O5 S |
| Smiles: | CC(c1ccc(cc1)S(N1CCOc2ccc(cc2C1)C(NCc1ccccc1F)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6238 |
| logD: | 3.6238 |
| logSw: | -3.8179 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.134 |
| InChI Key: | NBCIWKVHBUPTRR-UHFFFAOYSA-N |