AC1NKB6Q
7-anilino-11,11-dimethyl-5-(3-phenylpropylsulfanyl)-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carbonitrile
Also Known As: 8,8-dimethyl-5-(phenylamino)-3-((3-phenylpropyl)thio)-8,10-dihydro-7H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile|8,8-dimethyl-5-(phenylamino)-3-[(3-phenylpropyl)sulfanyl]-7,10-dihydro-8H-pyrano[3,4-c][1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
| Molecular Formula | C27H27N5OS |
|---|---|
| Molecular Weight | 469.19363 g/mol |
| LogP | 5.92078 |
| Topological Polar Surface Area | 75.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.19363 |
| Monoisotopic Mass | 469.19363 |
| Heavy Atoms | 34 |
| Complexity | 1342.7058 |
Chemical Identifiers
| CAS Number | 902017-12-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=NN=C(N3C(=C2C#N)NC4=CC=CC=C4)SCCCC5=CC=CC=C5)C |
Product Overview
AC1NKB6Q (CAS 902017-12-3), with molecular formula C27H27N5OS and molecular weight 469.19363 g/mol. IUPAC: 7-anilino-11,11-dimethyl-5-(3-phenylpropylsulfanyl)-12-oxa-3,4,6-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carbonitrile.
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