AC1MXB81
2-[(14,14-dimethyl-7-propan-2-ylsulfanyl-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]-1-morpholin-4-ylethanone
Also Known As: 2-((5-(isopropylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-morpholinoethanone|2-{[10,10-dimethyl-5-(propan-2-ylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone
| Molecular Formula | C21H27N5O3S3 |
|---|---|
| Molecular Weight | 493.1276 g/mol |
| LogP | 3.6417 |
| Topological Polar Surface Area | 81.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.1276 |
| Monoisotopic Mass | 493.1276 |
| Heavy Atoms | 32 |
| Complexity | 1166.7996 |
Chemical Identifiers
| CAS Number | 877808-97-4 |
|---|---|
| SMILES | CC(C)SC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N41)SCC(=O)N5CCOCC5 |
Product Overview
AC1MXB81 (CAS 877808-97-4), with molecular formula C21H27N5O3S3 and molecular weight 493.1276 g/mol. IUPAC: 2-[(14,14-dimethyl-7-propan-2-ylsulfanyl-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]-1-morpholin-4-ylethanone.
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