Basic information
- CAS
512808-86-5- Standard SMILES
CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)n(C)n1- InChIKey
MUUYAZHQVVYWOJ-UHFFFAOYSA-N- Molecular formula
- C17H20N4O4S
- Average molar mass
- 376.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
- IUPAC
- ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
- English name
- ethyl 5-({[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-3-carboxylate
- Molecular formula
- C17H20N4O4S
- Molecular weight
- 376.4301
Names & synonyms
ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylateOprea1_706627STK956066AKOS003764241ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylateST088840AK-968/41169861512808-86-5ethyl 5-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)-1-methyl-1H-pyrazole-3-carboxylateethyl 5-({[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-3-carboxylateETHYL 5-({[3-(AMINOCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]AMINO}CARBONYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATEethyl 5-[N-(3-carbamoyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))carbamoyl]-1- methylpyrazole-3-carboxylate
Database identifiers
- CAS
512808-86-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 575
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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