Basic information
- Standard SMILES
O=C(O)c1cccc(NC(=O)c2cc(-c3ccccc3)[nH]c2CC23CC4CC(CC(C4)C2)C3)c1- InChIKey
QWPVIWFKQNBMNC-UHFFFAOYSA-N- Molecular formula
- C29H30N2O3
- Average molar mass
- 454.6 g/mol
Names & identifiers
- Preferred name
- 3-[(2-Adamantan-1-ylmethyl-5-phenyl-1h-pyrrole-3-carbonyl)-amino]-benzoic acid
- IUPAC
- 3-[[2-(1-adamantylmethyl)-5-phenyl-1H-pyrrole-3-carbonyl]amino]benzoic acid
Names & synonyms
SCHEMBL6161163QWPVIWFKQNBMNC-UHFFFAOYSA-N3-[(2-adamantan-1-ylmethyl-5-phenyl-1h-pyrrole-3-carbonyl)-amino]-benzoic acid
Database identifiers
- PubChem CID
- 9890198
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 734
Related reactions
1 records
Compound notes
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