C27H21ClN4O3 structure

C27H21ClN4O3

methyl 4-[4-chloro-11-(2-methylphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-9-yl]benzoate

Also Known As: methyl 4-(2-chloro-7-(o-tolyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzoate|methyl 4-[2-chloro-7-(2-methylphenyl)-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidin-6-yl]benzoate

CAS: 850156-76-2
Molecular Formula C27H21ClN4O3
Molecular Weight 484.13022 g/mol
LogP 5.58642
Topological Polar Surface Area 78.27 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 3
Exact Mass 484.13022
Monoisotopic Mass 484.13022
Heavy Atoms 35
Complexity 1492.5646

Chemical Identifiers

CAS Number 850156-76-2
SMILES CC1=CC=CC=C1C2C3=C(C4=C(C=CC(=C4)Cl)OC3C5=CC=C(C=C5)C(=O)OC)NC6=NC=NN26

Product Overview

C27H21ClN4O3 (CAS 850156-76-2), with molecular formula C27H21ClN4O3 and molecular weight 484.13022 g/mol. IUPAC: methyl 4-[4-chloro-11-(2-methylphenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-9-yl]benzoate.

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