3-benzyl-2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one
3-benzyl-2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-4948 |
| Compound Name: | 3-benzyl-2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-(piperidin-1-yl)quinazolin-4(3H)-one |
| Molecular Weight: | 538.5 |
| Molecular Formula: | C28 H25 Cl2 N3 O2 S |
| Smiles: | C1CCN(CC1)c1ccc2c(c1)C(N(Cc1ccccc1)C(=N2)SCC(c1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.827 |
| logD: | 6.8269 |
| logSw: | -6.4503 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.47 |
| InChI Key: | ALPJIVDPQUZHKH-UHFFFAOYSA-N |