3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061897 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 521.59 |
| Molecular Formula: | C27 H27 N3 O6 S |
| Smiles: | COc1ccc(CCNC(c2ccc3C(N(C(Nc3c2)=S)c2ccc(c(c2)OC)OC)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.5929 |
| logD: | 2.5861 |
| logSw: | -3.2819 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.483 |
| InChI Key: | QCLYMDQMUFXJFV-UHFFFAOYSA-N |