methyl 3-[4-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[4-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0302 |
| Compound Name: | methyl 3-[4-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C26 H23 N3 O5 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(CC(NCc2ccccc2OC)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5618 |
| logD: | 3.5405 |
| logSw: | -3.7948 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.711 |
| InChI Key: | RPYVKGXSJWNOPA-UHFFFAOYSA-N |