AC1MZ18T

(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl) 4-methylbenzoate

Also Known As: Oprea1_180891|KS-000034RJ|2R-1121|16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl 4-methylbenzoate|(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl) 4-methylbenzoate|17-[(4-methylbenzoyl)oxy]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione|16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl4-methylbenzoate

Molecular Formula	C26H19NO4
Molecular Weight	409.1314 g/mol
LogP	3.95902
Topological Polar Surface Area	63.68 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	409.1314
Monoisotopic Mass	409.1314
Heavy Atoms	31
Complexity	1146.9084

Chemical Identifiers

CAS Number	478029-40-2
SMILES	CC1=CC=C(C=C1)C(=O)ON2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46