3-benzyl-N-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-benzyl-N-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-benzyl-N-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061274 |
| Compound Name: | 3-benzyl-N-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | COc1ccc(c(c1)NC(c1ccc2C(N(Cc3ccccc3)C(Nc2c1)=S)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2917 |
| logD: | 4.2654 |
| logSw: | -4.3734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.885 |
| InChI Key: | GDZDRDKKTROXGL-UHFFFAOYSA-N |