AC1NEGPT
6-butylsulfanyl-18,18-dimethyl-14-morpholin-4-yl-17-oxa-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaene
Also Known As: 3-(butylsulfanyl)-8,8-dimethyl-11-(morpholin-4-yl)-7,10-dihydro-8H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine|3-(butylthio)-8,8-dimethyl-11-morpholino-8,10-dihydro-7H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C23H28N6O2S2 |
|---|---|
| Molecular Weight | 484.1715 g/mol |
| LogP | 4.4673 |
| Topological Polar Surface Area | 77.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.1715 |
| Monoisotopic Mass | 484.1715 |
| Heavy Atoms | 33 |
| Complexity | 1341.7223 |
Chemical Identifiers
| CAS Number | 489442-41-3 |
|---|---|
| SMILES | CCCCSC1=NN=C2N1C=NC3=C2SC4=C3C5=C(COC(C5)(C)C)C(=N4)N6CCOCC6 |
Product Overview
AC1NEGPT (CAS 489442-41-3), with molecular formula C23H28N6O2S2 and molecular weight 484.1715 g/mol. IUPAC: 6-butylsulfanyl-18,18-dimethyl-14-morpholin-4-yl-17-oxa-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaene.
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