methyl 3-(3-{[(3,4-dimethoxyphenyl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(3-{[(3,4-dimethoxyphenyl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(3-{[(3,4-dimethoxyphenyl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0453 |
| Compound Name: | methyl 3-(3-{[(3,4-dimethoxyphenyl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 505.55 |
| Molecular Formula: | C26 H23 N3 O6 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1cccc(c1)C(NCc1ccc(c(c1)OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1842 |
| logD: | 3.1555 |
| logSw: | -3.5344 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.554 |
| InChI Key: | JSDHIGPZZMPGFU-UHFFFAOYSA-N |