Basic information
- Standard SMILES
O=C(NCc1ccccn1)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCC(N2CCOCC2)CC1)=Cc1ccccc1-3- InChIKey
YQSCYELPSCLXBV-UHFFFAOYSA-N- Molecular formula
- C40H45N5O3
- Average molar mass
- 643.8 g/mol
- Monoisotopic mass
- 643.35224031
Names & identifiers
- Preferred name
- 13-cyclohexyl-6-[[4-(4-morpholinyl)-1-piperidinyl]carbonyl]-N-(2-pyridinylmethyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
- IUPAC
- 13-cyclohexyl-6-(4-morpholin-4-ylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
Names & synonyms
SCHEMBL3942853YQSCYELPSCLXBV-UHFFFAOYSA-N13-cyclohexyl-6-[[4-(4-morpholinyl)-1-piperidinyl]carbonyl]-N-(2-pyridinylmethyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide
Database identifiers
- PubChem CID
- 57526727
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 79.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
2 records
Compound notes
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