2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(2,5-dichlorophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(2,5-dichlorophenyl)quinazolin-4(3H)-one
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(2,5-dichlorophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V006-0662 |
| Compound Name: | 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(2,5-dichlorophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 469.43 |
| Molecular Formula: | C25 H22 Cl2 N2 O S |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3ccccc3C(N2c2cc(ccc2[Cl])[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.8184 |
| logD: | 6.8184 |
| logSw: | -6.1779 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.8586 |
| InChI Key: | PBKDXLBDPPKBED-UHFFFAOYSA-N |