AC1M0JM5
2-[(14-methylsulfanyl-7-phenyl-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]acetic acid
Also Known As: KSC-285-130-1|(9-Methylsulfanyl-4-phenyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyclopenta[c]fluoren-7-ylsulfanyl)-acetic acid|(9-Methylsulfanyl-4-phenyl-2,3-dihydro-1H-6-thia-5,8,10-triaza-cyclopenta[c]fluoren-7-ylsulfanyl)-acetic acid|{[9-(methylsulfanyl)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]sulfanyl}acetic acid|2-((9-(methylthio)-4-phenyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)acetic acid|2-[(14-methylsulfanyl-7-phenyl-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]acetic acid
| Molecular Formula | C21H17N3O2S3 |
|---|---|
| Molecular Weight | 439.04828 g/mol |
| LogP | 5.2938 |
| Topological Polar Surface Area | 75.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.04828 |
| Monoisotopic Mass | 439.04828 |
| Heavy Atoms | 29 |
| Complexity | 1254.9847 |
Chemical Identifiers
| CAS Number | 848734-95-2 |
|---|---|
| SMILES | CSC1=NC2=C(C(=N1)SCC(=O)O)SC3=C2C4=C(CCC4)C(=N3)C5=CC=CC=C5 |
Product Overview
AC1M0JM5 (CAS 848734-95-2), with molecular formula C21H17N3O2S3 and molecular weight 439.04828 g/mol. IUPAC: 2-[(14-methylsulfanyl-7-phenyl-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]acetic acid.
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