AC1MNE58
N-(4-bromophenyl)-2-[(7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]acetamide
Also Known As: N-(4-bromophenyl)-2-((4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)acetamide|N-(4-bromophenyl)-2-{[4-(propan-2-yl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetamide
| Molecular Formula | C23H21BrN4OS2 |
|---|---|
| Molecular Weight | 512.034 g/mol |
| LogP | 6.3449 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.034 |
| Monoisotopic Mass | 512.034 |
| Heavy Atoms | 31 |
| Complexity | 1300.9197 |
Chemical Identifiers
| CAS Number | 836637-47-9 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC=N4)SCC(=O)NC5=CC=C(C=C5)Br |
Product Overview
AC1MNE58 (CAS 836637-47-9), with molecular formula C23H21BrN4OS2 and molecular weight 512.034 g/mol. IUPAC: N-(4-bromophenyl)-2-[(7-propan-2-yl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]acetamide.
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