1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one
Chemical Structure Depiction of
1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one
1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one
Compound characteristics
| Compound ID: | C082-0968 |
| Compound Name: | 1-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one |
| Molecular Weight: | 513.15 |
| Molecular Formula: | C28 H37 Cl N4 O S |
| Smiles: | CC1CC(C)(C)NC(N1CCCC(N1CCN(CC1)C(c1ccccc1)c1ccc(cc1)[Cl])=O)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6455 |
| logD: | 4.6445 |
| logSw: | -5.0205 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.929 |
| InChI Key: | KRLZEYZJEITFQG-UHFFFAOYSA-N |