Basic information
- Standard SMILES
C=C(C)COC(=O)N=C(N)c1ccc(N[C@@H](c2nn(-c3ncccn3)c(=O)[nH]2)c2cc(OC)cc(OCCO)c2F)cc1- InChIKey
AFCJVBIBNYYUSU-HSZRJFAPSA-N- Molecular formula
- C28H29FN8O6
- Average molar mass
- 592.6 g/mol
Names & identifiers
- Preferred name
- [1-amino(4-{[(R)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl](5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]-triazol-3-yl)methyl]amino}phenyl)methylene]carbamic acid 2-methylallyl ester
- IUPAC
- 2-methylprop-2-enyl N-[amino-[4-[[(R)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]-(5-oxo-1-pyrimidin-2-yl-4H-1,2,4-triazol-3-yl)methyl]amino]phenyl]methylidene]carbamate
Names & synonyms
AFCJVBIBNYYUSU-HSZRJFAPSA-N[1-amino(4-{[(R)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl](5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]-triazol-3-yl)methyl]amino}phenyl)methylene]carbamic acid 2-methylallyl ester
Database identifiers
- PubChem CID
- 136334036
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
4 records
Compound notes
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