AC1MVQWS
2-[(7-ethyl-14,14-dimethyl-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-phenylbutan-2-yl)acetamide
Also Known As: 2-((5-ethyl-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)-N-(4-phenylbutan-2-yl)acetamide|2-[(5-ethyl-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)sulfanyl]-N-(4-phenylbutan-2-yl)acetamide
| Molecular Formula | C26H31N5O2S2 |
|---|---|
| Molecular Weight | 509.19193 g/mol |
| LogP | 4.9823 |
| Topological Polar Surface Area | 81.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 509.19193 |
| Monoisotopic Mass | 509.19193 |
| Heavy Atoms | 35 |
| Complexity | 1362.8431 |
Chemical Identifiers
| CAS Number | 799809-11-3 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N14)SCC(=O)NC(C)CCC5=CC=CC=C5 |
Product Overview
AC1MVQWS (CAS 799809-11-3), with molecular formula C26H31N5O2S2 and molecular weight 509.19193 g/mol. IUPAC: 2-[(7-ethyl-14,14-dimethyl-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-phenylbutan-2-yl)acetamide.