3-methyl-5-[(3-methylbutoxy)methyl]-4,5-dihydro-1H-furo[2,3-c]pyrazole-1-carbothioamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-methyl-5-[(3-methylbutoxy)methyl]-4,5-dihydro-1H-furo[2,3-c]pyrazole-1-carbothioamide--hydrogen chloride (1/1)
3-methyl-5-[(3-methylbutoxy)methyl]-4,5-dihydro-1H-furo[2,3-c]pyrazole-1-carbothioamide--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | 4075-3289 |
Compound Name: | 3-methyl-5-[(3-methylbutoxy)methyl]-4,5-dihydro-1H-furo[2,3-c]pyrazole-1-carbothioamide--hydrogen chloride (1/1) |
Molecular Weight: | 319.85 |
Molecular Formula: | C13 H21 N3 O2 S |
Salt: | HCl |
Smiles: | CC(C)CCOCC1Cc2c(C)nn(C(N)=S)c2O1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.0093 |
logD: | 2.0093 |
logSw: | -2.0077 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 45.991 |
InChI Key: | MDJGOZXCBNPJPR-SNVBAGLBSA-N |