N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-chlorobenzamide
Chemical Structure Depiction of
N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-chlorobenzamide
N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-chlorobenzamide
Compound characteristics
| Compound ID: | 8007-7005 |
| Compound Name: | N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-chlorobenzamide |
| Molecular Weight: | 433.98 |
| Molecular Formula: | C20 H20 Cl N3 O2 S2 |
| Smiles: | CCCCNC(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0693 |
| logD: | 5.0641 |
| logSw: | -5.3331 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.724 |
| InChI Key: | GSIXRZZZWGUGNE-UHFFFAOYSA-N |