methyl 4-methyl-4,7,15-triazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-22-carboxylate
methyl 4-methyl-4,7,15-triazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-22-carboxylate
| Molecular Formula | C22H23N3O2 |
|---|---|
| Molecular Weight | 361.4 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.7 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.17902 |
| Heavy Atoms | 27 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 115313-22-9 |
|---|---|
| SMILES | CN1CCN2C(C1)C3=C(C4=CC=CC=C4N3CC5=CC=CC=C52)C(=O)OC |
| InChIKey | WPGUWABWNUSPMW-UHFFFAOYSA-N |
📖 Product Overview
methyl 4-methyl-4,7,15-triazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-22-carboxylate (CAS: 115313-22-9) is a chemical compound with molecular formula C22H23N3O2 and molecular weight 361.4 g/mol. Its IUPAC systematic name is methyl 4-methyl-4,7,15-triazapentacyclo[13.7.0.02,7.08,13.016,21]docosa-1(22),8,10,12,16,18,20-heptaene-22-carboxylate.
WPGUWABWNUSPMW-UHFFFAOYSA-N.
SMILES: CN1CCN2C(C1)C3=C(C4=CC=CC=C4N3CC5=CC=CC=C52)C(=O)OC.
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