Basic information
- Standard SMILES
O=S(=O)(c1cccc(-c2ccc3cnc(Nc4ccc5nc(CO)[nH]c5c4)nn23)c1)N1CCOCC1- InChIKey
GSFCYNJYTAFQJM-UHFFFAOYSA-N- Molecular formula
- C24H23N7O4S
- Average molar mass
- 505.6 g/mol
- Monoisotopic mass
- 505.15322341
Names & identifiers
- Preferred name
- (6-{7-[3-(Morpholine-4-sulfonyl)-phenyl]-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino}-1H-benzoimidazol-2-yl)-methanol
- IUPAC
- [6-[[7-(3-morpholin-4-ylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1H-benzimidazol-2-yl]methanol
Names & synonyms
SCHEMBL521669GSFCYNJYTAFQJM-UHFFFAOYSA-N(6-{7-[3-(Morpholine-4-sulfonyl)-phenyl]-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino}-1H-benzoimidazol-2-yl)-methanol
Database identifiers
- PubChem CID
- 66712433
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 854
Related reactions
2 records
Compound notes
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