N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-5-({1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)pentanamide
Chemical Structure Depiction of
N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-5-({1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)pentanamide
N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-5-({1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)pentanamide
Compound characteristics
| Compound ID: | V017-6468 |
| Compound Name: | N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-5-({1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}sulfanyl)pentanamide |
| Molecular Weight: | 647.97 |
| Molecular Formula: | C39 H57 N3 O3 S |
| Smiles: | CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCCNC(CCCCSC1=NC(C)=C(Cc2cccc(C)c2)C(N1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.7236 |
| logD: | 8.7236 |
| logSw: | -5.6051 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.006 |
| InChI Key: | PSKVMGNLSMPCMV-UHFFFAOYSA-N |