2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(3,4-dichlorophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(3,4-dichlorophenyl)quinazolin-4(3H)-one
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(3,4-dichlorophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V003-1400 |
| Compound Name: | 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(3,4-dichlorophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 469.43 |
| Molecular Formula: | C25 H22 Cl2 N2 O S |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3ccccc3C(N2c2ccc(c(c2)[Cl])[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.0322 |
| logD: | 7.0321 |
| logSw: | -6.2599 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.1595 |
| InChI Key: | PEFWGKRBUUREEL-UHFFFAOYSA-N |