1-tert-butyl-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-tert-butyl-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
1-tert-butyl-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V029-9782 |
| Compound Name: | 1-tert-butyl-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 551.62 |
| Molecular Formula: | C24 H33 N5 O8 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(NCC2CCCO2)=O)nn(c1Oc1ccc(cc1S(N1CCOCC1)(=O)=O)[N+]([O-])=O)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0576 |
| logD: | 2.0576 |
| logSw: | -2.8434 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.236 |
| InChI Key: | SKSIRDQAFVCDQG-GOSISDBHSA-N |