AC1NEHTF
4,4-dimethyl-8-morpholin-4-yl-N-(4-phenylbutan-2-yl)-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
Also Known As: A3913/0166425|2,2-dimethyl-5-morpholino-N-(4-phenylbutan-2-yl)-2,4-dihydro-1H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-amine|2,2-dimethyl-5-(morpholin-4-yl)-N-(4-phenylbutan-2-yl)-1,4-dihydro-2H-thiopyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-8-amine|N-(2,2-DIMETHYL-5-MORPHOLINO-1,4-DIHYDRO-2H-THIOPYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D][1,2,3]TRIAZIN-8-YL)-N-(1-METHYL-3-PHENYLPROPYL)AMINE
| Molecular Formula | C27H32N6OS2 |
|---|---|
| Molecular Weight | 520.2079 g/mol |
| LogP | 5.4722 |
| Topological Polar Surface Area | 76.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.2079 |
| Monoisotopic Mass | 520.2079 |
| Heavy Atoms | 36 |
| Complexity | 1383.8093 |
Chemical Identifiers
| CAS Number | 371925-21-2 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)NC2=NN=NC3=C2SC4=C3C5=C(CSC(C5)(C)C)C(=N4)N6CCOCC6 |
Product Overview
AC1NEHTF (CAS 371925-21-2), with molecular formula C27H32N6OS2 and molecular weight 520.2079 g/mol. IUPAC: 4,4-dimethyl-8-morpholin-4-yl-N-(4-phenylbutan-2-yl)-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.