2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | D365-0013 |
| Compound Name: | 2-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one |
| Molecular Weight: | 314.4 |
| Molecular Formula: | C17 H18 N2 O2 S |
| Smiles: | Cc1ccc(cc1)C(CSC1NC(C2CCCCC=2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7082 |
| logD: | 2.5447 |
| logSw: | -3.1908 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.719 |
| InChI Key: | DPRDYCPYCHPGFD-UHFFFAOYSA-N |