N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | 8009-0076 |
| Compound Name: | N-(2-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide |
| Molecular Weight: | 519.68 |
| Molecular Formula: | C28 H29 N3 O3 S2 |
| Smiles: | CCCCOc1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.948 |
| logD: | 6.9479 |
| logSw: | -5.5791 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.493 |
| InChI Key: | ZSHJRGKQEYCKEL-UHFFFAOYSA-N |