{3-[({4-(methoxymethyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{3-[({4-(methoxymethyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
{3-[({4-(methoxymethyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V026-1476 |
| Compound Name: | {3-[({4-(methoxymethyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 533.69 |
| Molecular Formula: | C29 H35 N5 O3 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1cccc(c1)C(N1CCCC1)=O)N1CCN(CC1)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8876 |
| logD: | 4.8874 |
| logSw: | -4.8072 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.914 |
| InChI Key: | YMNJQKCWUZJCLL-UHFFFAOYSA-N |