AG-667/11912004
Basic information
- CAS
5804-90-0- Standard SMILES
CCOc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCC3)cc1- InChIKey
KFXDNMCCYIGLPT-UHFFFAOYSA-N- Molecular formula
- C25H26N2O3S
- Average molar mass
- 434.6 g/mol
- Monoisotopic mass
- 434.16641387
Names & identifiers
- Preferred name
- AG-667/11912004
- IUPAC
- N-(4-ethoxyphenyl)-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Names & synonyms
5804-90-0DTXSID80359947AG-667/11912004RefChem:317361DTXCID00310999ZINC722329N-(4-ethoxyphenyl)-2-[(phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideN-(4-ETHOXYPHENYL)-2-(2-PHENYLACETAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDEN-(4-ethoxyphenyl)-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideOprea1_667886Oprea1_741662CHEMBL1521205
Show more names
HMS1807B06MFCD01176799STK046140ZINC00722329AKOS000514534N-(4-Ethoxyphenyl)-2-(2-phenylacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamideNCGC00102370-01330188-69-7
Database identifiers
- CAS
5804-90-0- PubChem CID
- 1047293
- DTXSID
DTXSID80359947- ChEMBL
CHEMBL1521205
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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