3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7,8-trimethoxyquinazolin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7,8-trimethoxyquinazolin-4(3H)-one
3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7,8-trimethoxyquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V030-9675 |
| Compound Name: | 3-benzyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6,7,8-trimethoxyquinazolin-4(3H)-one |
| Molecular Weight: | 511 |
| Molecular Formula: | C26 H23 Cl N2 O5 S |
| Salt: | not_available |
| Smiles: | COc1cc2C(N(Cc3ccccc3)C(=Nc2c(c1OC)OC)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3681 |
| logD: | 5.3681 |
| logSw: | -5.8342 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.83 |
| InChI Key: | YWVGFOVPZWNIQK-UHFFFAOYSA-N |