2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
Basic information
- CAS
852703-73-2- Standard SMILES
Nn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1C1CC1- InChIKey
XEIFFJCPMPWJEC-UHFFFAOYSA-N- Molecular formula
- C16H19N5OS
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.13103142
Names & identifiers
- Preferred name
- 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
- IUPAC
- 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
Names & synonyms
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamideMLS002169885CHEMBL1881085DTXSID501328024HMS3090K21AKOS033666739852703-73-2SMR001250209SR-01000067576SR-01000067576-1Z192351132-[(4-amino-5-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
Database identifiers
- CAS
852703-73-2- PubChem CID
- 4843572
- DTXSID
DTXSID501328024- ChEMBL
CHEMBL1881085
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Experimental & physicochemical properties
Solubility48 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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