4-bromo-N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-bromo-N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-bromo-N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8007-7009 |
| Compound Name: | 4-bromo-N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 478.43 |
| Molecular Formula: | C20 H20 Br N3 O2 S2 |
| Smiles: | CCCCNC(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3085 |
| logD: | 5.3033 |
| logSw: | -5.1808 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.724 |
| InChI Key: | SGLPQJWVTGDEFC-UHFFFAOYSA-N |