ethyl 5-{[(1-methyl-1-phenylethyl)amino]carbonyl}-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-thieno[2,3-c]pyrazole-1-carboxylate
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Basic information
- Standard SMILES
CCOC(=O)n1nc(NC(=O)c2ccc(N3CCOCC3)cc2)c2cc(C(=O)NC(C)(C)c3ccccc3)sc21- InChIKey
FRQQXPNBOFYVEK-UHFFFAOYSA-N- Molecular formula
- C29H31N5O5S
- Average molar mass
- 561.7 g/mol
Names & identifiers
- Preferred name
- ethyl 5-{[(1-methyl-1-phenylethyl)amino]carbonyl}-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-thieno[2,3-c]pyrazole-1-carboxylate
- IUPAC
- ethyl 3-[(4-morpholin-4-ylbenzoyl)amino]-5-(2-phenylpropan-2-ylcarbamoyl)thieno[3,2-d]pyrazole-1-carboxylate
Names & synonyms
SCHEMBL739466FRQQXPNBOFYVEK-UHFFFAOYSA-Nethyl 5-{[(1-methyl-1-phenylethyl)amino]carbonyl}-3-[(4-morpholin 4-ylbenzoyl)amino]-1H-thieno[2,3-c]pyrazole-1-carboxylateethyl 5-{[(1-methyl-1-phenylethyl)amino]carbonyl}-3-[(4-morpholin-4-ylbenzoyl)amino]-1H-thieno[2,3-c]pyrazole-1-carboxylate
Database identifiers
- PubChem CID
- 44520544
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 901
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Related reactions
6 records
Compound notes
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