Basic information
- Standard SMILES
CC(C)(C)OC(=O)N(Cc1coc(-c2cc3cc(OC(F)(F)F)ccc3[nH]2)n1)c1ccc(CCCCn2ccnn2)cc1- InChIKey
MBGXJPPBSMSBBQ-UHFFFAOYSA-N- Molecular formula
- C30H31F3N6O4
- Average molar mass
- 596.6 g/mol
Names & identifiers
- Preferred name
- [4-(4-[1,2,3]Triazol-1-yl-butyl)-phenyl]-[2-(5-trifluoromethoxy-1H-indol-2-yl)-oxazol-4-ylmethyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-[4-(triazol-1-yl)butyl]phenyl]-N-[[2-[5-(trifluoromethoxy)-1H-indol-2-yl]-1,3-oxazol-4-yl]methyl]carbamate
Names & synonyms
[4-(4-[1,2,3]Triazol-1-yl-butyl)-phenyl]-[2-(5-trifluoromethoxy-1H-indol-2-yl)-oxazol-4-ylmethyl]-carbamic acid tert-butyl esterSCHEMBL4861704BKRSYQDXJIAYCC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 136331972
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 900
Related reactions
4 records
Compound notes
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