methyl 3-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0367 |
| Compound Name: | methyl 3-{4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C28 H26 N4 O5 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)C(N1CCN(CC1)c1ccccc1OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5063 |
| logD: | 3.485 |
| logSw: | -3.812 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.118 |
| InChI Key: | FBDZFVZDBDIWJV-UHFFFAOYSA-N |