methyl 3-[(4-{[(3,4-dimethoxyphenyl)methyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-{[(3,4-dimethoxyphenyl)methyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[(4-{[(3,4-dimethoxyphenyl)methyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0505 |
| Compound Name: | methyl 3-[(4-{[(3,4-dimethoxyphenyl)methyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C27 H25 N3 O6 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(NCc3ccc(c(c3)OC)OC)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6613 |
| logD: | 3.66 |
| logSw: | -4.0451 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.166 |
| InChI Key: | UXDABEOOFYDPPB-UHFFFAOYSA-N |