1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one
Chemical Structure Depiction of
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one
Compound characteristics
| Compound ID: | C082-0830 |
| Compound Name: | 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propan-1-one |
| Molecular Weight: | 423.02 |
| Molecular Formula: | C21 H31 Cl N4 O S |
| Smiles: | CC1CC(C)(C)NC(N1CCC(N1CCN(CC1)c1cc(ccc1C)[Cl])=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.869 |
| logD: | 3.869 |
| logSw: | -4.335 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.327 |
| InChI Key: | MDPLBYZQBQVMGT-INIZCTEOSA-N |