N-(4-bromo-2-methylphenyl)-2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
N-(4-bromo-2-methylphenyl)-2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D360-7071 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 430.32 |
| Molecular Formula: | C19 H16 Br N3 O2 S |
| Smiles: | Cc1cc(ccc1NC(CSc1c(C#N)cc2C(CCCc2n1)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.0804 |
| logD: | 4.0801 |
| logSw: | -4.3148 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.891 |
| InChI Key: | XLNCRYGZDQSTJS-UHFFFAOYSA-N |