methyl 3-{[4-({3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-{[4-({3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-{[4-({3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-3663 |
| Compound Name: | methyl 3-{[4-({3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}carbamoyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 589.69 |
| Molecular Formula: | C31 H32 F N5 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(NCCCN3CCN(CC3)c3ccccc3F)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.151 |
| logD: | 3.8498 |
| logSw: | -4.1152 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.688 |
| InChI Key: | BXZDVXAMKVBJQC-UHFFFAOYSA-N |