4-tert-butyl-N-{N'-(4-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{N'-(4-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
4-tert-butyl-N-{N'-(4-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F341-0042 |
| Compound Name: | 4-tert-butyl-N-{N'-(4-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide |
| Molecular Weight: | 489.66 |
| Molecular Formula: | C29 H39 N5 O2 |
| Smiles: | CCn1c(C)c(CCN/C(NC(c2ccc(cc2)C(C)(C)C)=O)=N/c2ccc(cc2)OCC)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4122 |
| logD: | 4.9354 |
| logSw: | -5.342 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.095 |
| InChI Key: | TWMAEPWJICFMMV-UHFFFAOYSA-N |