methyl 3-[3-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}amino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[3-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}amino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[3-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}amino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0215 |
| Compound Name: | methyl 3-[3-({3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}amino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 537.68 |
| Molecular Formula: | C28 H35 N5 O4 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCNC(CCN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6173 |
| logD: | 2.4165 |
| logSw: | -3.8547 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.725 |
| InChI Key: | MOUOTTYQOPRLSL-UHFFFAOYSA-N |