2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0101 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 504.05 |
| Molecular Formula: | C28 H26 Cl N3 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2cc(ccc2C1=O)C(N1CCCC1)=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.3905 |
| logD: | 5.3862 |
| logSw: | -5.856 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.174 |
| InChI Key: | DGAHAALXNYBVSR-UHFFFAOYSA-N |