Basic information
- Standard SMILES
COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCCC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl- InChIKey
YMBCZOPBANJCDQ-UHFFFAOYSA-N- Molecular formula
- C36H42ClN5O7S2
- Average molar mass
- 756.3 g/mol
- Monoisotopic mass
- 755.2214187
Names & identifiers
- Preferred name
- N-[17-[8-chloro-2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yloxy]-2,14-dioxo-3,15-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide
- IUPAC
- 17-[8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-cyclopropylsulfonyl-2,14-dioxo-3,15-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide
Names & synonyms
SCHEMBL2216596YMBCZOPBANJCDQ-UHFFFAOYSA-NN-[17-[8-chloro-2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yloxy]-2,14-dioxo-3,15-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide
Database identifiers
- PubChem CID
- 67320301
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,460
Related reactions
2 records
Compound notes
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