AC1NKDZA
11,11-dimethyl-7-(4-methylanilino)-5-(3-methylbutylsulfanyl)-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carbonitrile
Also Known As: 3-(isopentylthio)-8,8-dimethyl-5-(p-tolylamino)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile|8,8-Dimethyl-3-[(3-methylbutyl)sulfanyl]-5-(4-methylanilino)-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile|8,8-dimethyl-3-[(3-methylbutyl)sulfanyl]-5-[(4-methylphenyl)amino]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
| Molecular Formula | C24H29N5OS |
|---|---|
| Molecular Weight | 435.2093 g/mol |
| LogP | 5.6425 |
| Topological Polar Surface Area | 75.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.2093 |
| Monoisotopic Mass | 435.2093 |
| Heavy Atoms | 31 |
| Complexity | 1141.7166 |
Chemical Identifiers
| CAS Number | 902014-40-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C3=C(COC(C3)(C)C)C4=NN=C(N24)SCCC(C)C)C#N |
Product Overview
AC1NKDZA (CAS 902014-40-8), with molecular formula C24H29N5OS and molecular weight 435.2093 g/mol. IUPAC: 11,11-dimethyl-7-(4-methylanilino)-5-(3-methylbutylsulfanyl)-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carbonitrile.
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