N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8008-5799 |
| Compound Name: | N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C26 H25 N3 O3 S2 |
| Smiles: | CCCCOc1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4669 |
| logD: | 6.4662 |
| logSw: | -5.4949 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.707 |
| InChI Key: | FHBGZSHQKHOHEY-UHFFFAOYSA-N |