3-(2,4-dichlorophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide
Basic information
- CAS
4878-32-4- Standard SMILES
O=C(C=Cc1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(CN2CCOCC2)cc1- InChIKey
VRUPBUVZLPMGLT-UHFFFAOYSA-N- Molecular formula
- C21H21Cl2N3O2S
- Average molar mass
- 450.4 g/mol
- Monoisotopic mass
- 449.0731535
Names & identifiers
- Preferred name
- 3-(2,4-dichlorophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide
- IUPAC
- 3-(2,4-dichlorophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide
Names & synonyms
4878-32-4AC1NQEX7DTXSID904109573-(2,4-Dichlorophenyl)-N-({4-[(morpholin-4-yl)methyl]phenyl}carbamothioyl)prop-2-enamide
Database identifiers
- CAS
4878-32-4- PubChem CID
- 5220147
- DTXSID
DTXSID90410957
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 578
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Compound notes
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