4-acetyl-N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Chemical Structure Depiction of
4-acetyl-N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
4-acetyl-N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Compound characteristics
| Compound ID: | E589-0264 |
| Compound Name: | 4-acetyl-N-{[4-(azepane-1-carbonyl)cyclohexyl]methyl}-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide |
| Molecular Weight: | 477.62 |
| Molecular Formula: | C24 H35 N3 O5 S |
| Smiles: | CC(N1CCOc2ccc(cc12)S(NCC1CCC(CC1)C(N1CCCCCC1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4902 |
| logD: | 3.4902 |
| logSw: | -3.8338 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.172 |
| InChI Key: | AUCWMNFILIJEED-UHFFFAOYSA-N |