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Basic information
- Standard SMILES
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=NC(CC(=O)NCc1cccnc1)c1nnc(C)n1-2- InChIKey
NJRRNXNUFQKYHL-UHFFFAOYSA-N- Molecular formula
- C25H23ClN6OS
- Average molar mass
- 491 g/mol
Names & identifiers
- Preferred name
- (+/-)-N-(3-pyridylmethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide
- IUPAC
- 2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(pyridin-3-ylmethyl)acetamide
Names & synonyms
NJRRNXNUFQKYHL-UHFFFAOYSA-N(+/-)-N-(3-pyridylmethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide
Database identifiers
- PubChem CID
- 86751981
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 762
Related reactions
2 records
Compound notes
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