Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate
Basic information
- CAS
726144-16-7- Standard SMILES
CCOC(=O)c1c(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)sc(C)c1CC- InChIKey
YBHVLKAECIMIOH-UHFFFAOYSA-N- Molecular formula
- C22H30N2O3S2
- Average molar mass
- 434.6 g/mol
- Monoisotopic mass
- 434.16978517
Names & identifiers
- Preferred name
- Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylate
- IUPAC
- ethyl 2-(adamantane-1-carbonylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate
Names & synonyms
DTXSID701106905AKOS034449206726144-16-7Ethyl 4-ethyl-5-methyl-2-[[thioxo[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)amino]methyl]amino]-3-thiophenecarboxylateZ56084833
Database identifiers
- CAS
726144-16-7- PubChem CID
- 3956404
- DTXSID
DTXSID701106905
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 642
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Compound notes
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