AC1LQFEB

methyl 2-[3-[(E)-[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate

Also Known As: methyl (3-{(E)-[1-(3-bromophenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)acetate|methyl 2-[3-[(E)-[1-(3-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]indol-1-yl]acetate|methyl (3-{(E)-[1-(3-bromophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indol-1-yl)acetate

Molecular Formula	C22H16BrN3O4S
Molecular Weight	497.0045 g/mol
LogP	3.4081
Topological Polar Surface Area	80.64 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	497.0045
Monoisotopic Mass	497.0045
Heavy Atoms	31
Complexity	1280.7516

Chemical Identifiers

CAS Number	348577-91-3
SMILES	COC(=O)CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Br