methyl 3-({4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-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}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-({4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0479 |
| Compound Name: | methyl 3-({4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C29 H28 N4 O5 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(N3CCN(CC3)c3ccccc3OC)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0976 |
| logD: | 4.0962 |
| logSw: | -4.1598 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.73 |
| InChI Key: | ZAXFTWOQVHIEAT-UHFFFAOYSA-N |