4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-ethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-yl)methyl]benzamide
Chemical Structure Depiction of
4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-ethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-yl)methyl]benzamide
4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-ethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V024-5287 |
| Compound Name: | 4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-ethylpyrimidin-2-yl)sulfanyl]methyl}-N-[(pyridin-3-yl)methyl]benzamide |
| Molecular Weight: | 557.72 |
| Molecular Formula: | C31 H35 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(NCc1cccnc1)=O)N(C)CCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4412 |
| logD: | 4.4367 |
| logSw: | -4.051 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.344 |
| InChI Key: | QZMLHYSKZBMSFR-UHFFFAOYSA-N |