AC1MSAMI
4-[7,7-dimethyl-4-(2-methylanilino)-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]dec-3-en-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: (Z)-4-(7,7-dimethyl-2-thioxo-4-(o-tolylimino)-8-oxa-1,3-diazaspiro[4.5]decan-1-yl)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one|4-[9,9-dimethyl-1-(2-methylanilino)-3-sulfanylidene-8-oxa-2,4-diazaspiro[4.5]dec-1-en-4-yl]-1,5-dimethyl-2-phenylpyrazol-3-one|4-{(4Z)-7,7-dimethyl-4-[(2-methylphenyl)imino]-2-sulfanyl-8-oxa-1,3-diazaspiro[4.5]dec-2-en-1-yl}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C27H31N5O2S |
|---|---|
| Molecular Weight | 489.21985 g/mol |
| LogP | 4.73614 |
| Topological Polar Surface Area | 63.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.21985 |
| Monoisotopic Mass | 489.21985 |
| Heavy Atoms | 35 |
| Complexity | 1388.2982 |
Chemical Identifiers
| CAS Number | 577985-71-8 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=NC(=S)N(C23CCOC(C3)(C)C)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C |
Product Overview
AC1MSAMI (CAS 577985-71-8), with molecular formula C27H31N5O2S and molecular weight 489.21985 g/mol. IUPAC: 4-[7,7-dimethyl-4-(2-methylanilino)-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]dec-3-en-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one.