N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D336-1994 |
| Compound Name: | N-(2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C21 H17 N3 O2 S3 |
| Smiles: | Cc1cccc(c1)NC(CSc1nc2ccc(cc2s1)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4121 |
| logD: | 5.4121 |
| logSw: | -5.3371 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.307 |
| InChI Key: | KBSUAXMJBVAHIN-UHFFFAOYSA-N |