4-decoxy-N-[2-[2-(dibenzofuran-3-ylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
Basic information
- CAS
311799-67-4- Standard SMILES
CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc5c(c4)oc4ccccc45)sc3c2)cc1- InChIKey
GQKYYAWUWBEJOQ-UHFFFAOYSA-N- Molecular formula
- C38H39N3O4S2
- Average molar mass
- 665.9 g/mol
- Monoisotopic mass
- 665.23819908
Names & identifiers
- Preferred name
- 4-decoxy-N-[2-[2-(dibenzofuran-3-ylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
- IUPAC
- 4-decoxy-N-[2-[2-(dibenzofuran-3-ylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
- English name
- 4-(decyloxy)-N-(2-{[2-(dibenzo[b,d]furan-3-ylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
- Molecular formula
- C38H39N3O4S2
- Molecular weight
- 665.86396
Names & synonyms
4-(decyloxy)-N-(2-{[2-(dibenzo[b,d]furan-3-ylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamideSTK674055AKOS0017048214-decoxy-N-[2-[2-(dibenzofuran-3-ylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamideAG-205/116051044-(decyloxy)-N-[2-({2-[(dibenzo[b,d]furan-3-yl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]benzamide
Database identifiers
- CAS
311799-67-4- PubChem CID
- 3284882
Properties
Computed structural properties
- XLogP
- 11.2
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 981
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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