AC1NKDCR
2-[(14,14-dimethyl-7-methylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: 2-((10,10-dimethyl-5-(methylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(p-tolyl)acetamide|2-{[10,10-dimethyl-5-(methylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
| Molecular Formula | C22H23N5O2S3 |
|---|---|
| Molecular Weight | 485.10138 g/mol |
| LogP | 4.95142 |
| Topological Polar Surface Area | 81.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.10138 |
| Monoisotopic Mass | 485.10138 |
| Heavy Atoms | 32 |
| Complexity | 1327.34 |
Chemical Identifiers
| CAS Number | 902007-59-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=NC4=C3C5=C(S4)COC(C5)(C)C)SC |
Product Overview
AC1NKDCR (CAS 902007-59-4), with molecular formula C22H23N5O2S3 and molecular weight 485.10138 g/mol. IUPAC: 2-[(14,14-dimethyl-7-methylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-(4-methylphenyl)acetamide.
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