N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide
Chemical Structure Depiction of
N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide
N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide
Compound characteristics
| Compound ID: | D336-1149 |
| Compound Name: | N-[2-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C20 H21 N3 O2 S2 |
| Smiles: | CCCC(Nc1ccc2c(c1)sc(n2)SCC(N(C)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9365 |
| logD: | 3.9364 |
| logSw: | -3.8571 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.311 |
| InChI Key: | YEHBOYULFBMOLU-UHFFFAOYSA-N |