ChemDiv3_003781
5-propyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: ChemDiv3_003781|BAS 03754507|IDI1_021691|MLS-0463467.0001|SR-01000501469-1|BRD-K07933723-001-01-4|3-propyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|3-propyl-4,8,9,10,11-pentahydrobenzo[b]thiopheno[2,3-d]1,2,4-triazolo[4,3-e]py rimidine|3-Propyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene|3-propyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C14H16N4S |
|---|---|
| Molecular Weight | 272.10956 g/mol |
| LogP | 3.1703 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.10956 |
| Monoisotopic Mass | 272.10956 |
| Heavy Atoms | 19 |
| Complexity | 755.567 |
Chemical Identifiers
| CAS Number | 433696-91-4 |
|---|---|
| SMILES | CCCC1=NN=C2N1C=NC3=C2C4=C(S3)CCCC4 |
Product Overview
ChemDiv3_003781 (CAS 433696-91-4), with molecular formula C14H16N4S and molecular weight 272.10956 g/mol. IUPAC: 5-propyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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