3-[({4-(methoxymethyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-[({4-(methoxymethyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
3-[({4-(methoxymethyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V024-8208 |
| Compound Name: | 3-[({4-(methoxymethyl)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 563.72 |
| Molecular Formula: | C30 H37 N5 O4 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1cccc(c1)C(NCC1CCCO1)=O)N1CCN(CC1)c1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3944 |
| logD: | 4.3942 |
| logSw: | -4.3374 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.967 |
| InChI Key: | RGBRFLZMKCFVEY-HHHXNRCGSA-N |