1-{4-[4-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[4-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
1-{4-[4-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V027-8547 |
| Compound Name: | 1-{4-[4-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 469.61 |
| Molecular Formula: | C24 H31 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(COC)cc(n2)N2CCCC2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4347 |
| logD: | 2.4345 |
| logSw: | -2.6546 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.305 |
| InChI Key: | TYGFKKHWMIXPAG-UHFFFAOYSA-N |