N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methoxybenzamide
Chemical Structure Depiction of
N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methoxybenzamide
N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | D336-0468 |
| Compound Name: | N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-methoxybenzamide |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C26 H23 N3 O3 S2 |
| Smiles: | COc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(N1CCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.556 |
| logD: | 5.5557 |
| logSw: | -5.2885 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.74 |
| InChI Key: | BZWMAYIJDHGNEQ-UHFFFAOYSA-N |