Basic information
- Standard SMILES
CN(CC(=O)N1CCCCC1)C1CCC(Nc2ncnc3sc4c(c23)CCC4)CC1- InChIKey
CJIOGAOBEGMHPX-UHFFFAOYSA-N- Molecular formula
- C23H33N5OS
- Average molar mass
- 427.6 g/mol
Names & identifiers
- Preferred name
- 2-[Methyl[4-([7-thia-9,11-diazatricyclo[6.4.0.0[2,6]]dodeca-1(12),2(6),8,10-tetraen-12-yl]amino)cyclohexyl]amino]-1-(piperidin-1-yl)ethan-1-one
- IUPAC
- 2-[methyl-[4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)cyclohexyl]amino]-1-piperidin-1-ylethanone
Names & synonyms
SCHEMBL10343552SCHEMBL15641535CJIOGAOBEGMHPX-UHFFFAOYSA-N2-[methyl[4-([7-thia-9,11-diazatricyclo[6.4.0.0[2,6]]dodeca-1(12),2(6),8,10-tetraen-12-yl]amino)cyclohexyl]amino]-1-(piperidin-1-yl)ethan-1-one
Database identifiers
- PubChem CID
- 57521147
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 592
Related reactions
1 records
Compound notes
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