Basic information
- Standard SMILES
COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6(C)CC6)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3nc(C(C)C)cs3)nc2c1C- InChIKey
CVFQOKIBZTWREC-UHFFFAOYSA-N- Molecular formula
- C39H49N5O7S2
- Average molar mass
- 764 g/mol
Names & identifiers
- Preferred name
- N-[17-[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methylquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl](1-methylcyclopropyl)sulfonamide
- IUPAC
- 17-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-13-methyl-N-(1-methylcyclopropyl)sulfonyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide
Names & synonyms
SCHEMBL995841CVFQOKIBZTWREC-UHFFFAOYSA-NN-[17-[2-(4-isopropylthiazole-2-yl)-7-methoxy-8-methylquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl](1-methylcyclopropyl)sulfonamide
Database identifiers
- PubChem CID
- 66870883
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,530
Related reactions
8 records
Compound notes
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