Basic information
- Standard SMILES
CCNCc1cccc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CCCN5CCCC5)CC4)c3c2)c1- InChIKey
DFUBXBUIHYNWIV-UHFFFAOYSA-N- Molecular formula
- C30H41N5O3S
- Average molar mass
- 551.7 g/mol
Names & identifiers
- Preferred name
- 5-{3-[(ethylamino)methyl]phenyl}-3-(1-{[3-(1-pyrrolidinyl)propyl]sulfonyl}-4-piperidinyl)-1H-indole-7-carboxamide
- IUPAC
- 5-[3-(ethylaminomethyl)phenyl]-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL3792889DFUBXBUIHYNWIV-UHFFFAOYSA-N5-{3-[(ethylamino)methyl]phenyl}-3-(1-{[3-(1-pyrrolidinyl)propyl]sulfonyl}-4-piperidinyl)-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 11613700
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 897
Related reactions
2 records
Compound notes
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