2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(4-chlorophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(4-chlorophenyl)quinazolin-4(3H)-one
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(4-chlorophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V003-1375 |
| Compound Name: | 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(4-chlorophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 434.99 |
| Molecular Formula: | C25 H23 Cl N2 O S |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3ccccc3C(N2c2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.288 |
| logD: | 6.2878 |
| logSw: | -6.0758 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.1595 |
| InChI Key: | ZYWLOAUPQIJIKM-UHFFFAOYSA-N |