1-[4-(3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
1-[4-(3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V025-5123 |
| Compound Name: | 1-[4-(3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 605.8 |
| Molecular Formula: | C33 H43 N5 O4 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1cccc(CSc2nc(cc(n2)N(C)CCc2ccc(c(c2)OC)OC)C(C)(C)C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7559 |
| logD: | 4.7488 |
| logSw: | -4.6241 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.761 |
| InChI Key: | JWBVSYLEGUXALE-UHFFFAOYSA-N |