AC1MEQ33

2,6-dimethoxy-4-[3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol

Also Known As: NCGC00099956-01|AB00113334-01|2,6-dimethoxy-4-[3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol|2,6-dimethoxy-4-{3-[(4-methylbenzyl)thio]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol|2,6-DIMETHOXY-4-{3-[(4-METHYLBENZYL)SULFANYL]-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL}PHENOL|2,6-Dimethoxy-4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol

Molecular Formula	C26H24N4O4S
Molecular Weight	488.15182 g/mol
LogP	5.36522
Topological Polar Surface Area	98.62 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	6
Exact Mass	488.15182
Monoisotopic Mass	488.15182
Heavy Atoms	35
Complexity	1339.0607

Chemical Identifiers

CAS Number	6636-64-2
SMILES	CC1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC(=C(C(=C5)OC)O)OC)N=N2