ethyl 4-[4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate
ethyl 4-[4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | 8018-3985 |
| Compound Name: | ethyl 4-[4-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)butanamido]benzoate |
| Molecular Weight: | 455.29 |
| Molecular Formula: | C18 H22 I N3 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC(CCCn1c(C)c(c(C)n1)I)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5621 |
| logD: | 2.5616 |
| logSw: | -2.8697 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.402 |
| InChI Key: | XUDRWVRQWQPRQN-UHFFFAOYSA-N |