2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0295 |
| Compound Name: | 2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | COc1cccc(c1)N1C(=Nc2cc(ccc2C1=O)C(N1CCCC1)=O)SCc1ccc(C=C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5188 |
| logD: | 4.5186 |
| logSw: | -4.2809 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.718 |
| InChI Key: | DUEKNWUFLRPOOU-UHFFFAOYSA-N |