Basic information
- CAS
5805-33-4- Standard SMILES
COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccs1- InChIKey
HLPMALILYUAEEE-UHFFFAOYSA-N- Molecular formula
- C20H25NO4S
- Average molar mass
- 375.5 g/mol
- Monoisotopic mass
- 375.15042945
Names & identifiers
- Preferred name
- ST017174
- IUPAC
- 2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
- English name
- Benzimidazole, 2-(1-cyclohexen-1-yl)- (7CI,8CI)
- Molecular formula
- C13H14N2
- Molecular weight
- 198.26
Names & synonyms
5805-33-4ST017174DTXSID20386712RefChem:381300DTXCID703377342-methoxyethyl 2,7,7-trimethyl-5-oxo-4-(2-thienyl)-1,4,6,7,8-pentahydroquinoli ne-3-carboxylate2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate2-METHOXYETHYL 2,7,7-TRIMETHYL-5-OXO-4-(2-THIENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATE2-methoxyethyl 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylateSTK038882AKOS000658863AKOS022079761
Show more names
1H-Benzimidazole, 2-(1-cyclohexen-1-yl)-Benzimidazole, 2-(1-cyclohexen-1-yl)- (7CI,8CI)
AB00097593-01AG-690/12870082SR-01000422833SR-01000422833-1
Database identifiers
- CAS
5805-33-4- PubChem CID
- 2869909
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 665
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
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Compound notes
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