{3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
{3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-6977 |
| Compound Name: | {3-[({4-tert-butyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]phenyl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 545.75 |
| Molecular Formula: | C31 H39 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1cccc(c1)C(N1CCCC1)=O)N1CCN(CC1)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.5292 |
| logD: | 6.5286 |
| logSw: | -5.662 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.994 |
| InChI Key: | AQZLTBNYBKIZQD-UHFFFAOYSA-N |