2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K783-6767 |
| Compound Name: | 2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one |
| Molecular Weight: | 286.39 |
| Molecular Formula: | C16 H18 N2 O S |
| Smiles: | Cc1cccc(CSC2NC(C3CCCCC=3N=2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4063 |
| logD: | 3.2652 |
| logSw: | -3.6729 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.472 |
| InChI Key: | CTYRBXFLKOAZKS-UHFFFAOYSA-N |