Basic information
- Standard SMILES
Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCCC4)cc3)nc12- InChIKey
TUMITOMFWDJDDQ-UHFFFAOYSA-N- Molecular formula
- C27H28Cl2N6O2S
- Average molar mass
- 571.5 g/mol
- Monoisotopic mass
- 570.1371507
Names & identifiers
- Preferred name
- 4-[7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-N-methyl-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
- IUPAC
- 4-[[7-(2,6-dichlorophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
Names & synonyms
SCHEMBL4269156CHEMBL3651268BDBM97948TUMITOMFWDJDDQ-UHFFFAOYSA-NUS8481536, 5284-[7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-N-methyl-N-(2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
Database identifiers
- PubChem CID
- 59837620
- ChEMBL
CHEMBL3651268
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 854
Related reactions
3 records
Compound notes
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