methyl 3-[2-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[2-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0146 |
| Compound Name: | methyl 3-[2-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}amino)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 523.65 |
| Molecular Formula: | C27 H33 N5 O4 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCNC(CN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.4583 |
| logD: | 2.2575 |
| logSw: | -3.7387 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.747 |
| InChI Key: | LNOATTIBRFMIEL-UHFFFAOYSA-N |