N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | D336-2001 |
| Compound Name: | N-(2-{[2-(3-methylanilino)-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(Nc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8547 |
| logD: | 4.8547 |
| logSw: | -4.5995 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.347 |
| InChI Key: | YKSZGHMFCSQYAE-UHFFFAOYSA-N |