Ethyl 2-[[2-[1-[2-[(2,4-dichlorobenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Basic information
- CAS
6229-44-3- Standard SMILES
CCOC(=O)c1c(NC(=O)CSc2cn(CCNC(=O)c3ccc(Cl)cc3Cl)c3ccccc23)sc2c1CCCC2- InChIKey
DELBUWYHLSLLBG-UHFFFAOYSA-N- Molecular formula
- C30H29Cl2N3O4S2
- Average molar mass
- 630.6 g/mol
- Monoisotopic mass
- 629.0976541
Names & identifiers
- Preferred name
- Ethyl 2-[[2-[1-[2-[(2,4-dichlorobenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-[1-[2-[(2,4-dichlorobenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Names & synonyms
532975-65-86229-44-3ethyl 2-{2-[(1-{2-[(2,4-dichlorophenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-(2-((1-(2-(2,4-dichlorobenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateethyl 2-[[2-[1-[2-[(2,4-dichlorobenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateDTXSID70977856AKOS024583003F0554-07292,4-Dichloro-N-(2-{3-[(2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}-2-hydroxyethyl)sulfanyl]-1H-indol-1-yl}ethyl)benzene-1-carboximidic acid
Database identifiers
- CAS
6229-44-3- PubChem CID
- 5223965
- DTXSID
DTXSID70977856
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 932
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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