Basic information
- Standard SMILES
CCCCn1ccc2c(-c3ncco3)cc(C(=O)N[C@@H](Cc3cc(F)cc(F)c3)[C@H](O)CNCc3cccc(CC)c3)cc21- InChIKey
HXVFRDSAFUZDTC-CQTOTRCISA-N- Molecular formula
- C35H38F2N4O3
- Average molar mass
- 600.7 g/mol
Names & identifiers
- Preferred name
- 1-Butyl-N-{(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-4-(1,3-oxazol-2-yl)-1H-indole-6-carboxamide
- IUPAC
- 1-butyl-N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-(1,3-oxazol-2-yl)indole-6-carboxamide
Names & synonyms
SCHEMBL3348493HXVFRDSAFUZDTC-CQTOTRCISA-N1-Butyl-N-{(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-4-(1,3-oxazol-2-yl)-1H-indole-6-carboxamide
Database identifiers
- PubChem CID
- 57512965
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 875
Related reactions
2 records
Compound notes
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