methyl 3-(2-aminophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2-aminophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(2-aminophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-1055 |
| Compound Name: | methyl 3-(2-aminophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccccc1N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4782 |
| logD: | 2.4606 |
| logSw: | -3.1478 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.675 |
| InChI Key: | ZFSJEAQXIITUCE-UHFFFAOYSA-N |