Basic information
- CAS
1170241-49-2- Standard SMILES
Cc1cc(Cl)cc2sc(N(CCCN(C)C)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc12- InChIKey
YVYWARDVPSEIBV-UHFFFAOYSA-N- Molecular formula
- C22H21ClN4O3S2
- Average molar mass
- 489 g/mol
- Monoisotopic mass
- 488.0743606
Names & identifiers
- Preferred name
- N-(6-Chloro-4-methyl-2-benzothiazolyl)-N-[3-(dimethylamino)propyl]-5-nitrobenzo[b]thiophene-2-carboxamide
- IUPAC
- N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-5-nitro-1-benzothiophene-2-carboxamide
Names & synonyms
DTXSID2011105151170241-49-2N-(6-Chloro-4-methyl-2-benzothiazolyl)-N-[3-(dimethylamino)propyl]-5-nitrobenzo[b]thiophene-2-carboxamide
Database identifiers
- CAS
1170241-49-2- PubChem CID
- 43965565
- DTXSID
DTXSID201110515
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 697
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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