4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-(4-methylphenyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-(4-methylphenyl)cyclohexane-1-carboxamide
4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-(4-methylphenyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | E589-0371 |
| Compound Name: | 4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-(4-methylphenyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C25 H31 N3 O5 S |
| Smiles: | CC(N1CCOc2ccc(cc12)S(NCC1CCC(CC1)C(Nc1ccc(C)cc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8157 |
| logD: | 3.8157 |
| logSw: | -3.9179 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.284 |
| InChI Key: | AQHXPMOXJHJOOI-UHFFFAOYSA-N |