N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D336-2704 |
| Compound Name: | N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide |
| Molecular Weight: | 453.6 |
| Molecular Formula: | C22 H19 N3 O2 S3 |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nc2ccc(cc2s1)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5348 |
| logD: | 5.5347 |
| logSw: | -5.2602 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.609 |
| InChI Key: | PMYBNGUQYCBTJG-UHFFFAOYSA-N |