AC1N6CLD
2-[(14,14-dimethyl-7-propylsulfanyl-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-methoxyphenyl)acetamide
Also Known As: 2-((10,10-dimethyl-5-(propylthio)-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-methoxyphenyl)acetamide|2-{[10,10-dimethyl-5-(propylsulfanyl)-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-methoxyphenyl)acetamide
| Molecular Formula | C24H27N5O3S3 |
|---|---|
| Molecular Weight | 529.1276 g/mol |
| LogP | 5.4318 |
| Topological Polar Surface Area | 90.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.1276 |
| Monoisotopic Mass | 529.1276 |
| Heavy Atoms | 35 |
| Complexity | 1381.0784 |
Chemical Identifiers
| CAS Number | 577765-77-6 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N41)SCC(=O)NC5=CC=C(C=C5)OC |
Product Overview
AC1N6CLD (CAS 577765-77-6), with molecular formula C24H27N5O3S3 and molecular weight 529.1276 g/mol. IUPAC: 2-[(14,14-dimethyl-7-propylsulfanyl-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-methoxyphenyl)acetamide.