N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
Chemical Structure Depiction of
N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
Compound characteristics
| Compound ID: | 8008-0924 |
| Compound Name: | N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C21 H23 N3 O2 S2 |
| Smiles: | CCCCNC(CSc1nc2ccc(cc2s1)NC(c1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6935 |
| logD: | 4.6915 |
| logSw: | -4.4291 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.724 |
| InChI Key: | ZODWTBSETRXBPF-UHFFFAOYSA-N |