3,4-dimethylcyclohexyl 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
Chemical Structure Depiction of
3,4-dimethylcyclohexyl 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
3,4-dimethylcyclohexyl 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | 5540-0111 |
| Compound Name: | 3,4-dimethylcyclohexyl 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C20 H26 N2 O4 S |
| Smiles: | CC1CCC(CC1C)OC(CCC(Nc1nc2ccc(cc2s1)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0858 |
| logD: | 4.0857 |
| logSw: | -4.3277 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.182 |
| InChI Key: | USNNOWVMFWPYGP-UHFFFAOYSA-N |