methyl 3-(4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0312 |
| Compound Name: | methyl 3-(4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)-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(C(Nc2c1)=S)c1ccc(CC(N2CCN(CC2)c2ccccc2OC)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7856 |
| logD: | 3.764 |
| logSw: | -3.9772 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.591 |
| InChI Key: | JICHNAXHAMEQIF-UHFFFAOYSA-N |