2-[(3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
2-[(3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K284-4619 |
| Compound Name: | 2-[(3-{4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 639.7 |
| Molecular Formula: | C32 H32 F3 N5 O4 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CCCN1C(=Nc2ccccc2C1=O)SCC(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.912 |
| logD: | 3.9118 |
| logSw: | -4.0143 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.183 |
| InChI Key: | SXNABVHCYNWDHH-UHFFFAOYSA-N |