N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8007-6660 |
| Compound Name: | N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C20 H21 N3 O2 S2 |
| Smiles: | CCCCNC(CSc1nc2ccc(cc2s1)NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3696 |
| logD: | 4.369 |
| logSw: | -4.145 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.724 |
| InChI Key: | YIOAXNCSCYORIV-UHFFFAOYSA-N |