4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide
4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | E589-0333 |
| Compound Name: | 4-{[(4-acetyl-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)amino]methyl}-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 491.65 |
| Molecular Formula: | C25 H37 N3 O5 S |
| Smiles: | CC1CCC(CC1)NC(C1CCC(CC1)CNS(c1ccc2c(c1)N(CCO2)C(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3403 |
| logD: | 4.3403 |
| logSw: | -4.2838 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.331 |
| InChI Key: | MLSGONRHHIZUAV-UHFFFAOYSA-N |