4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V026-0967 |
| Compound Name: | 4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1-(propan-2-yl)-N-[(pyridin-3-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 528.59 |
| Molecular Formula: | C24 H28 N6 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)n1c(c(C)c(C(NCc2cccnc2)=O)n1)Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7329 |
| logD: | 2.7328 |
| logSw: | -3.0773 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.194 |
| InChI Key: | HKDYWGHSOWOSFS-UHFFFAOYSA-N |