4-methylcyclohexyl 4-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]amino}-4-oxobutanoate
Chemical Structure Depiction of
4-methylcyclohexyl 4-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]amino}-4-oxobutanoate
4-methylcyclohexyl 4-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]amino}-4-oxobutanoate
Compound characteristics
| Compound ID: | 8016-8140 |
| Compound Name: | 4-methylcyclohexyl 4-{[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]amino}-4-oxobutanoate |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C19 H24 N2 O5 S2 |
| Smiles: | CC1CCC(CC1)OC(CCC(Nc1nc2ccc(cc2s1)S(C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2742 |
| logD: | 3.2739 |
| logSw: | -3.7317 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.387 |
| InChI Key: | YYVKTBSHRLUMIA-UHFFFAOYSA-N |