5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]furan-2-carboxamide
Chemical Structure Depiction of
5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]furan-2-carboxamide
5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | V024-8290 |
| Compound Name: | 5-({[4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(methoxymethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[2-(morpholin-4-yl)ethyl]furan-2-carboxamide |
| Molecular Weight: | 610.73 |
| Molecular Formula: | C30 H38 N6 O6 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1ccc(C(NCCN2CCOCC2)=O)o1)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.0886 |
| logD: | 2.3653 |
| logSw: | -3.2633 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.738 |
| InChI Key: | RSHFFECMHVBCRC-UHFFFAOYSA-N |