3-(2,5-dimethoxyphenyl)-4-oxo-N-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(2,5-dimethoxyphenyl)-4-oxo-N-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(2,5-dimethoxyphenyl)-4-oxo-N-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061466 |
| Compound Name: | 3-(2,5-dimethoxyphenyl)-4-oxo-N-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | COc1ccc(c(c1)N1C(c2ccc(cc2NC1=S)C(NCC1CCCO1)=O)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2278 |
| logD: | 2.2261 |
| logSw: | -3.1047 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.647 |
| InChI Key: | GTZRXESKKPKFQM-OAHLLOKOSA-N |