[4-(2,5-dimethylphenyl)piperazin-1-yl](4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexyl)methanone
Chemical Structure Depiction of
[4-(2,5-dimethylphenyl)piperazin-1-yl](4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexyl)methanone
[4-(2,5-dimethylphenyl)piperazin-1-yl](4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexyl)methanone
Compound characteristics
| Compound ID: | K297-0985 |
| Compound Name: | [4-(2,5-dimethylphenyl)piperazin-1-yl](4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexyl)methanone |
| Molecular Weight: | 489.68 |
| Molecular Formula: | C28 H35 N5 O S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(C1CCC(CC1)CNC1c2ccccc2NC(N=1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4592 |
| logD: | 4.9115 |
| logSw: | -5.4644 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.862 |
| InChI Key: | SXQIFWLYHYHPJD-UHFFFAOYSA-N |