[3-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
[3-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
[3-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V025-1749 |
| Compound Name: | [3-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)phenyl](pyrrolidin-1-yl)methanone |
| Molecular Weight: | 517.69 |
| Molecular Formula: | C29 H35 N5 O2 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1cccc(c1)C(N1CCCC1)=O)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4647 |
| logD: | 4.3577 |
| logSw: | -4.3185 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.65 |
| InChI Key: | DFWDIGNIYMZZEG-UHFFFAOYSA-N |