Basic information
- Standard SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(Cc4ccccc4)cnc3Nc3ccc(OC)nc3)n2)cc1- InChIKey
FGDNIRLVISFOFQ-UHFFFAOYSA-N- Molecular formula
- C38H37N7O3
- Average molar mass
- 639.7 g/mol
- Monoisotopic mass
- 639.29578807
Names & identifiers
- Preferred name
- 4-(5-benzyl-2-(6-methoxypyridin-3-ylamino)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine
- IUPAC
- 4-[5-benzyl-2-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
Names & synonyms
SCHEMBL168716FGDNIRLVISFOFQ-UHFFFAOYSA-N4-(5-benzyl-2-(6-methoxypyridin-3-ylamino)pyridin-3-yl)-N,N-bis(4-methoxybenzyl)-6-methyl-1,3,5-triazin-2-amine
Database identifiers
- PubChem CID
- 66611990
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 885
Related reactions
6 records
Linked notes
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