2-Acetyl-5-methyl-8-phenylmethoxy-1-propan-2-yl-1,3-dihydropyridazino[4,5-b]indol-4-one
Basic information
- CAS
74840-59-8- Standard SMILES
CC(=O)N1NC(=O)c2c(c3cc(OCc4ccccc4)ccc3n2C)C1C(C)C- InChIKey
BNPWQHUUGRPOCR-UHFFFAOYSA-N- Molecular formula
- C23H25N3O3
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.18959167
Names & identifiers
- Preferred name
- 2-Acetyl-5-methyl-8-phenylmethoxy-1-propan-2-yl-1,3-dihydropyridazino[4,5-b]indol-4-one
- IUPAC
- 2-acetyl-5-methyl-8-phenylmethoxy-1-propan-2-yl-1,3-dihydropyridazino[4,5-b]indol-4-one
Names & synonyms
74840-59-8NSC3393462-acetyl-5-methyl-8-phenylmethoxy-1-propan-2-yl-1,3-dihydropyridazino[4,5-b]indol-4-oneDTXSID90319077NSC-3393462-Acetyl-8-(benzyloxy)-5-methyl-1-(propan-2-yl)-1,2,3,5-tetrahydro-4H-pyridazino[4,5-b]indol-4-one
Database identifiers
- CAS
74840-59-8- PubChem CID
- 334376
- DTXSID
DTXSID90319077
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 618
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Compound notes
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