N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]furan-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | V026-3816 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[({4-tert-butyl-6-[cyclohexyl(methyl)amino]pyrimidin-2-yl}sulfanyl)methyl]furan-2-carboxamide |
| Molecular Weight: | 536.69 |
| Molecular Formula: | C29 H36 N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1ccc(C(NCc2ccc3c(c2)OCO3)=O)o1)N(C)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.8095 |
| logD: | 6.8091 |
| logSw: | -5.5023 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.1 |
| InChI Key: | TTXVJEQNFSNOTN-UHFFFAOYSA-N |