ethyl 3-{3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate
Chemical Structure Depiction of
ethyl 3-{3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate
ethyl 3-{3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | G402-0052 |
| Compound Name: | ethyl 3-{3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propanamido}benzoate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(CCn1c(C)c(c(C)n1)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.134 |
| logD: | 2.134 |
| logSw: | -2.885 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.479 |
| InChI Key: | RNUZIIQOROIZAM-UHFFFAOYSA-N |