1-[4-(5-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carbonyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(5-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carbonyl)piperazin-1-yl]ethan-1-one
1-[4-(5-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carbonyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V025-5089 |
| Compound Name: | 1-[4-(5-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}furan-2-carbonyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 595.76 |
| Molecular Formula: | C31 H41 N5 O5 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(cc(n2)N(C)CCc2ccc(c(c2)OC)OC)C(C)(C)C)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8138 |
| logD: | 4.8094 |
| logSw: | -4.686 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.603 |
| InChI Key: | DUJMIDUDJKVWAC-UHFFFAOYSA-N |