3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0062030 |
| Compound Name: | 3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 507.56 |
| Molecular Formula: | C26 H25 N3 O6 S |
| Smiles: | COc1ccc(CN2C(c3ccc(cc3NC2=S)C(Nc2cc(c(c(c2)OC)OC)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7729 |
| logD: | 3.7539 |
| logSw: | -4.1123 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.931 |
| InChI Key: | IRNLJDKIAQCRIW-UHFFFAOYSA-N |