3-methyl-N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide
Chemical Structure Depiction of
3-methyl-N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide
3-methyl-N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide
Compound characteristics
| Compound ID: | D336-1152 |
| Compound Name: | 3-methyl-N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C21 H23 N3 O2 S2 |
| Smiles: | CC(C)CC(Nc1ccc2c(c1)sc(n2)SCC(N(C)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3795 |
| logD: | 4.3794 |
| logSw: | -4.2355 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.311 |
| InChI Key: | GHOPBTOQJLZFAZ-UHFFFAOYSA-N |