N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-0428 |
| Compound Name: | N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C25 H21 N3 O2 S2 |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nc2ccc(cc2s1)NC(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4686 |
| logD: | 5.468 |
| logSw: | -5.7263 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.196 |
| InChI Key: | FYBYFIVWTGVBTA-UHFFFAOYSA-N |