1-(2,5-dimethylphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(2,5-dimethylphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
1-(2,5-dimethylphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | V003-4614 |
| Compound Name: | 1-(2,5-dimethylphenyl)-4-methyl-5-[2-(morpholine-4-sulfonyl)-4-nitrophenoxy]-N-[(oxolan-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 599.66 |
| Molecular Formula: | C28 H33 N5 O8 S |
| Smiles: | Cc1ccc(C)c(c1)n1c(c(C)c(C(NCC2CCCO2)=O)n1)Oc1ccc(cc1S(N1CCOCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5688 |
| logD: | 3.5688 |
| logSw: | -3.8901 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 126.968 |
| InChI Key: | ZSNBDOHBYGTRFQ-JOCHJYFZSA-N |