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
| 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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