3-(3,5-dimethylphenyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
3-(3,5-dimethylphenyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0114 |
| Compound Name: | 3-(3,5-dimethylphenyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C29 H29 N3 O3 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2cc(ccc2C1=O)C(N1CCCC1)=O)SCc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.1287 |
| logD: | 5.1244 |
| logSw: | -4.9708 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.718 |
| InChI Key: | BIIFIKAHCBVWDR-UHFFFAOYSA-N |