N-(2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
N-(2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
N-(2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | D336-2640 |
| Compound Name: | N-(2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C20 H21 N3 O3 S2 |
| Smiles: | CCCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4772 |
| logD: | 4.4771 |
| logSw: | -4.4013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.891 |
| InChI Key: | CTLFGHYFMBRDPR-UHFFFAOYSA-N |