Basic information
- Standard SMILES
CCOc1cc(CN2CCC(NC(=O)c3cccc(-c4nn[nH]n4)c3)CC2)cc(OCC)c1-n1cccc1- InChIKey
AURCYEAUZDUJBJ-UHFFFAOYSA-N- Molecular formula
- C28H33N7O3
- Average molar mass
- 515.6 g/mol
Names & identifiers
- Preferred name
- N-[1-(3,5-Diethoxy-4-pyrrol-1-yl-benzyl)-piperidin-4-yl]-3-(2H-tetrazol-5-yl)-benzamide
- IUPAC
- N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]-3-(2H-tetrazol-5-yl)benzamide
Names & synonyms
SCHEMBL2963856AURCYEAUZDUJBJ-UHFFFAOYSA-NN-[1-(3,5-Diethoxy-4-pyrrol-1-yl-benzyl)-piperidin-4-yl]-3-(2H-tetrazol-5-yl)-benzamide
Database identifiers
- PubChem CID
- 68459103
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 715
Related reactions
2 records
Compound notes
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