Basic information
- Standard SMILES
C=C(C)COc1ccc(Sc2ccc(NC(C)=O)cc2)c(Nc2ccnc3nc(C)ccc23)c1- InChIKey
DCCPHVPDPAAXKB-UHFFFAOYSA-N- Molecular formula
- C27H26N4O2S
- Average molar mass
- 470.6 g/mol
Names & identifiers
- Preferred name
- N-{4-[4-(2-Methyl-allyloxy)-2-(7-methyl-[1,8]naphthyridin-4-ylamino)-phenylsulfanyl]-phenyl}-acetamide
- IUPAC
- N-[4-[2-[(7-methyl-1,8-naphthyridin-4-yl)amino]-4-(2-methylprop-2-enoxy)phenyl]sulfanylphenyl]acetamide
Names & synonyms
SCHEMBL2968295DCCPHVPDPAAXKB-UHFFFAOYSA-NN-{4-[4-(2-Methyl-allyloxy)-2-(7-methyl-[1,8]naphthyridin-4-ylamino)-phenylsulfanyl]-phenyl}-acetamide
Database identifiers
- PubChem CID
- 68460593
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 684
Related reactions
3 records
Compound notes
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