3-(3,5-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
3-(3,5-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0111 |
| Compound Name: | 3-(3,5-dimethylphenyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C30 H31 N3 O2 S |
| Smiles: | Cc1ccc(C)c(CSC2=Nc3cc(ccc3C(N2c2cc(C)cc(C)c2)=O)C(N2CCCC2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.3009 |
| logD: | 6.2812 |
| logSw: | -5.3689 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.174 |
| InChI Key: | KEPONFNDWJEZGJ-UHFFFAOYSA-N |