methyl 3-(2-{[(3,4-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{[(3,4-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(2-{[(3,4-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0149 |
| Compound Name: | methyl 3-(2-{[(3,4-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | COC(c1ccc2C(N(CC(NCc3ccc(c(c3)OC)OC)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.148 |
| logD: | 2.1458 |
| logSw: | -3.1094 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.224 |
| InChI Key: | ULCIYNCRIYOKOI-UHFFFAOYSA-N |