2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide
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Basic information
- CAS
354126-57-1- Standard SMILES
Nc1nnc(SCC(=O)Nc2ccc3nc(SCC(=O)Nc4ccc5c6c(cccc46)CC5)sc3c2)s1- InChIKey
GEVFLEFJONMRQA-UHFFFAOYSA-N- Molecular formula
- C25H20N6O2S4
- Average molar mass
- 564.7 g/mol
- Monoisotopic mass
- 564.0530586
Names & identifiers
- Preferred name
- 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide
- IUPAC
- 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide
- English name
- 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-{[2-(1,2-dihydro-5-acenaphthylenylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
- Molecular formula
- C25H20N6O2S4
- Molecular weight
- 564.7253
Names & synonyms
Oprea1_697420AN-989/142070062-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[2-(1,2-dihydroacenaphthylen-5-ylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-{[2-(1,2-dihydro-5-acenaphthylenylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Database identifiers
- CAS
354126-57-1- PubChem CID
- 1809077
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 841
Related reactions
0 records
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Compound notes
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