Oprea1_434381
2-(12,12,14,14-tetramethyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)naphthalen-1-ol
Also Known As: Oprea1_434381|AG-690/12869723|2-(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)naphthalen-1-ol|2-(8,8,10,10-tetramethyl-8,9,10,11-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-1-naphthol|2-{12,12,14,14-TETRAMETHYL-10-THIA-3,5,6,8,13-PENTAAZATETRACYCLO[7.7.0.0(2),?.0(1)(1),(1)?]HEXADECA-1(9),2,4,7,11(16)-PENTAEN-4-YL}NAPHTHALEN-1-OL
| Molecular Formula | C24H23N5OS |
|---|---|
| Molecular Weight | 429.16232 g/mol |
| LogP | 5.0242 |
| Topological Polar Surface Area | 75.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 429.16232 |
| Monoisotopic Mass | 429.16232 |
| Heavy Atoms | 31 |
| Complexity | 1511.3145 |
Chemical Identifiers
| CAS Number | 333775-27-2 |
|---|---|
| SMILES | CC1(CC2=C(C(N1)(C)C)SC3=C2C4=NC(=NN4C=N3)C5=C(C6=CC=CC=C6C=C5)O)C |
Product Overview
Oprea1_434381 (CAS 333775-27-2), with molecular formula C24H23N5OS and molecular weight 429.16232 g/mol. IUPAC: 2-(12,12,14,14-tetramethyl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)naphthalen-1-ol.