Basic information
- Standard SMILES
COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(C(=O)N4CCN(S(C)(=O)=O)CC4)cnc3Nc3ccc(OC)nc3)n2)cc1- InChIKey
BWOSRLKXJHERCI-UHFFFAOYSA-N- Molecular formula
- C37H41N9O6S
- Average molar mass
- 739.8 g/mol
Names & identifiers
- Preferred name
- (5-(4-(Bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(6-methoxypyridin-3-ylamino)pyridin-3-yl)(4-(methylsulfonyl)piperazin-1-yl)methanone
- IUPAC
- [5-[4-[bis[(4-methoxyphenyl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone
Names & synonyms
SCHEMBL166619BWOSRLKXJHERCI-UHFFFAOYSA-N(5-(4-(bis(4-methoxybenzyl)amino)-6-methyl-1,3,5-triazin-2-yl)-6-(6-methoxypyridin-3-ylamino)pyridin-3-yl)(4-(methylsulfonyl)piperazin-1-yl)methanone
Database identifiers
- PubChem CID
- 66611409
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 13
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
5 records
Compound notes
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