1-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
1-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V027-8722 |
| Compound Name: | 1-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 562.04 |
| Molecular Formula: | C25 H28 Cl N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1c(C)c(n(c2cccc(c2)[Cl])n1)Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9382 |
| logD: | 4.9382 |
| logSw: | -4.9967 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.344 |
| InChI Key: | RTJDIYBXJJQOPT-UHFFFAOYSA-N |