3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-(cyclopropylmethyl)benzamide
Chemical Structure Depiction of
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-(cyclopropylmethyl)benzamide
3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-(cyclopropylmethyl)benzamide
Compound characteristics
| Compound ID: | V002-2699 |
| Compound Name: | 3-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-yl}sulfanyl)methyl]-N-(cyclopropylmethyl)benzamide |
| Molecular Weight: | 508.09 |
| Molecular Formula: | C27 H30 Cl N5 O S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1cccc(c1)C(NCC1CC1)=O)N1CCN(CC1)c1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9673 |
| logD: | 5.967 |
| logSw: | -5.9992 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.878 |
| InChI Key: | ITLAKMCRNYRNSN-UHFFFAOYSA-N |