AC1MNE4D
3-(3-methylbutylsulfanyl)-7-(4-methylphenyl)-12-propan-2-yl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: 1-(isopentylthio)-7-isopropyl-4-(p-tolyl)-6,7-dihydro-4H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one|1-[(3-methylbutyl)sulfanyl]-4-(4-methylphenyl)-7-(propan-2-yl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C25H30N4O2S2 |
|---|---|
| Molecular Weight | 482.18103 g/mol |
| LogP | 5.63882 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.18103 |
| Monoisotopic Mass | 482.18103 |
| Heavy Atoms | 33 |
| Complexity | 1365.5708 |
Chemical Identifiers
| CAS Number | 371206-89-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCCC(C)C)SC5=C3CC(OC5)C(C)C |
Product Overview
AC1MNE4D (CAS 371206-89-2), with molecular formula C25H30N4O2S2 and molecular weight 482.18103 g/mol. IUPAC: 3-(3-methylbutylsulfanyl)-7-(4-methylphenyl)-12-propan-2-yl-13-oxa-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
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