3-(2,5-dimethoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-(2,5-dimethoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-(2,5-dimethoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0060920 |
| Compound Name: | 3-(2,5-dimethoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | COc1ccc(c(c1)N1C(c2ccc(cc2NC1=S)C(N1CCCC1)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.721 |
| logD: | 2.7207 |
| logSw: | -3.4171 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.594 |
| InChI Key: | OUSLQOMAVCSPNQ-UHFFFAOYSA-N |