2-[5-Chloro-2-(10-isopropyl-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C2CC3CN(C(C)C)C2)ncc1Cl- InChIKey
PTMBZXSAUZFZIO-UHFFFAOYSA-N- Molecular formula
- C25H29ClN6O2S
- Average molar mass
- 513.1 g/mol
- Monoisotopic mass
- 512.1761231
Names & identifiers
- Preferred name
- 2-[5-Chloro-2-(10-isopropyl-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide
- IUPAC
- 2-[[5-chloro-2-[(10-propan-2-yl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide
Names & synonyms
SCHEMBL884816PTMBZXSAUZFZIO-UHFFFAOYSA-N2-[5-Chloro-2-(10-isopropyl-10-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide
Database identifiers
- PubChem CID
- 66829520
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 825
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Related reactions
2 records
Compound notes
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