2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Chemical Structure Depiction of
2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Compound characteristics
| Compound ID: | F762-0199 |
| Compound Name: | 2-[1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonyl]-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
| Molecular Weight: | 456.51 |
| Molecular Formula: | C23 H22 F2 N4 O2 S |
| Smiles: | [H]c1ccc2c(c1)c1CCN(C(c3ccc(C)cc3)c1[nH]2)S(c1cnn(C(F)F)c1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9793 |
| logD: | 3.9793 |
| logSw: | -4.0366 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.498 |
| InChI Key: | FLMAVVFIQPTTCM-JOCHJYFZSA-N |