Basic information
- Standard SMILES
Cc1onc(-c2ccccc2Cl)c1C(=O)OC(CCCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1- InChIKey
NGZVAHIWMGKIBF-UHFFFAOYSA-N- Molecular formula
- C36H40ClN3O4
- Average molar mass
- 614.2 g/mol
- Monoisotopic mass
- 613.2707345
Names & identifiers
- Preferred name
- 4-{4-[3-(Isobutyrylamino)phenyl]-1-piperidinyl}-1-phenylbutyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate
- IUPAC
- [4-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]-1-phenylbutyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Names & synonyms
NGZVAHIWMGKIBF-UHFFFAOYSA-N4-{4-[3-(ISOBUTYRYLAMINO)PHENYL]-1-PIPERIDINYL}-1-PHENYLBUTYL 3-(2-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLATE
Database identifiers
- PubChem CID
- 20723014
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 906
Related reactions
3 records
Compound notes
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