3-benzyl-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-benzyl-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | A0061282 |
Compound Name: | 3-benzyl-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
Molecular Weight: | 477.54 |
Molecular Formula: | C25 H23 N3 O5 S |
Smiles: | COc1cc(cc(c1OC)OC)NC(c1ccc2C(N(Cc3ccccc3)C(Nc2c1)=S)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7906 |
logD: | 3.7715 |
logSw: | -4.0981 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 73.387 |
InChI Key: | PEUGAFYUXRWAHB-UHFFFAOYSA-N |