methyl 3-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0305 |
| Compound Name: | methyl 3-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 533.6 |
| Molecular Formula: | C28 H27 N3 O6 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(CC(NCCc2ccc(c(c2)OC)OC)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6323 |
| logD: | 2.611 |
| logSw: | -3.2478 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.183 |
| InChI Key: | QUSBUIZOWPZJMA-UHFFFAOYSA-N |