Basic information
- Standard SMILES
O=S1(=O)CCN(Cc2ccc(-c3ccc4cnc(Nc5ccc(N6CCOCC6)cc5)nn34)cc2)CC1- InChIKey
UYQUFVRVZHEHAK-UHFFFAOYSA-N- Molecular formula
- C27H30N6O3S
- Average molar mass
- 518.6 g/mol
Names & identifiers
- Preferred name
- {7-[4-(1,1-Dioxo-1$1(6)-thiomorpholin-4-ylmethyl)-phenyl]-pyrrolo[2,1-f][1, 2,4]triazin-2-yl}-(4-morpholin-4-yl-phenyl)-amine
- IUPAC
- 7-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
Names & synonyms
SCHEMBL2479958UYQUFVRVZHEHAK-UHFFFAOYSA-N{7-[4-(1,1-Dioxo-1$1(6)-thiomorpholin-4-ylmethyl)-phenyl]-pyrrolo[2,1-f][1, 2,4]triazin-2-yl}-(4-morpholin-4-yl-phenyl)-amine{7-[4-(1,1-Dioxo-1$1(6)-thiomorpholin-4-ylmethyl)-phenyl]-pyrrolo[2,1-f][1,2,4]triazin-2-yl}-(4-morpholin-4-yl-phenyl)-amine
Database identifiers
- PubChem CID
- 67423918
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 820
Related reactions
1 records
Compound notes
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