Ethyl hydrogen (4-{[4-({2-(dimethylcarbamoyl)-4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
Basic information
- Standard SMILES
CCOP(=O)(O)Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(-c4cnn(CCCO)c4)cc3C(=O)N(C)C)n2)c(OC)c1- InChIKey
KOWXZURZDUKRRV-UHFFFAOYSA-N- Molecular formula
- C30H35F3N7O6P
- Average molar mass
- 677.6 g/mol
Names & identifiers
- Preferred name
- Ethyl hydrogen (4-{[4-({2-(dimethylcarbamoyl)-4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
- IUPAC
- [4-[[4-[2-(dimethylcarbamoyl)-4-[1-(3-hydroxypropyl)pyrazol-4-yl]anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]methyl-ethoxyphosphinic acid
Names & synonyms
Ethyl hydrogen (4-{[4-({2-(dimethylcarbamoyl)-4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate
Database identifiers
- PubChem CID
- 86697697
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 14
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
1 records
Compound notes
Loading…