JWMUEPIAPBPOMF-WPWMEQJKSA-N
[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 3-iodobenzoate
Also Known As: BAS 00319167|(E)-4-((2-(4,6-dimorpholino-1,3,5-triazin-2-yl)hydrazono)methyl)phenyl 3-iodobenzoate|AG-690/36008008|F0037-9343|4-[(1E)-{2-[4,6-BIS(MORPHOLIN-4-YL)-1,3,5-TRIAZIN-2-YL]HYDRAZIN-1-YLIDENE}METHYL]PHENYL 3-IODOBENZOATE|[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 3-iodobenzoate|4-{2-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]carbohydrazonoyl}phenyl 3-iodobenzoate|4-[(E)-{2-[4,6-BIS(MORPHOLIN-4-YL)-1,3,5-TRIAZIN-2-YL]HYDRAZIN-1-YLIDENE}METHYL]PHENYL 3-IODOBENZOATE
| Molecular Formula | C25H26IN7O4 |
|---|---|
| Molecular Weight | 615.1091 g/mol |
| LogP | 2.8146 |
| Topological Polar Surface Area | 114.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 615.1091 |
| Monoisotopic Mass | 615.1091 |
| Heavy Atoms | 37 |
| Complexity | 1209.7925 |
Chemical Identifiers
| CAS Number | 321968-75-6 |
|---|---|
| SMILES | C1COCCN1C2=NC(=NC(=N2)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)I)N5CCOCC5 |
Product Overview
JWMUEPIAPBPOMF-WPWMEQJKSA-N (CAS 321968-75-6), with molecular formula C25H26IN7O4 and molecular weight 615.1091 g/mol. IUPAC: [4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] 3-iodobenzoate.