Basic information
- CAS
760183-09-3- Standard SMILES
CCn1c(Sc2ccc([N+](=O)[O-])cc2C=Nc2sc3c(c2C(=O)Nc2ccccc2)CCC(C(C)(C)C)C3)nnc1-c1ccccc1- InChIKey
BUYGKMWGNXSDKQ-UHFFFAOYSA-N- Molecular formula
- C36H36N6O3S2
- Average molar mass
- 664.8 g/mol
- Monoisotopic mass
- 664.22903138
Names & identifiers
- Preferred name
- 6-(1,1-Dimethylethyl)-2-[[[2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-5-nitrophenyl]methylene]amino]-4,5,6,7-tetrahydro-N-phenylbenzo[b]thiophene-3-carboxamide
- IUPAC
- 6-tert-butyl-2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrophenyl]methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Names & synonyms
DTXSID4010993796-(1,1-Dimethylethyl)-2-[[[2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-5-nitrophenyl]methylene]amino]-4,5,6,7-tetrahydro-N-phenylbenzo[b]thiophene-3-carboxamide760183-09-3
Database identifiers
- CAS
760183-09-3- PubChem CID
- 165366232
- DTXSID
DTXSID401099379
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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