Basic information
- Standard SMILES
Cc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)[nH]c2c1C(=O)N(CCN1CCOCC1)CCC2- InChIKey
JLRLXIMACZIABZ-UHFFFAOYSA-N- Molecular formula
- C31H32Cl2N4O5S
- Average molar mass
- 643.6 g/mol
- Monoisotopic mass
- 642.1470467
Names & identifiers
- Preferred name
- 2-[[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-5-(2-morpholin-4-ylethyl)-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one
- IUPAC
- 2-[[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-3-methyl-5-(2-morpholin-4-ylethyl)-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4-one
Names & synonyms
SCHEMBL3133269
Database identifiers
- PubChem CID
- 68523726
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
1 records
Compound notes
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