4-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
4-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V024-9343 |
| Compound Name: | 4-({[4-(4-benzylpiperazin-1-yl)-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 547.72 |
| Molecular Formula: | C30 H37 N5 O3 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1ccc(cc1)C(NCC1CCCO1)=O)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6796 |
| logD: | 3.5725 |
| logSw: | -3.9412 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.703 |
| InChI Key: | YHYSBAITHRXOOA-HHHXNRCGSA-N |