ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate
Basic information
- CAS
66870-57-3- Standard SMILES
CCOC(=O)CC1=NN(C(=O)c2ccccc2)C(=NC(=O)c2ccccc2)SC1- InChIKey
LJXHNXNUFCFFFX-UHFFFAOYSA-N- Molecular formula
- C21H19N3O4S
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.10962727
Names & identifiers
- Preferred name
- ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate
- IUPAC
- ethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetate
Names & synonyms
NSC29996466870-57-3Ethyl [(2Z)-3-benzoyl-2-(benzoylimino)-3,6-dihydro-2H-1,3,4-thiadiazin-5-yl]acetateethyl 2-(3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl)acetateDTXSID00316153NSC-299964DS-013258ethyl 2-[(2Z)-3-benzoyl-2-benzoylimino-6H-1,3,4-thiadiazin-5-yl]acetate2H-1,3,4-THIADIAZINE-5-ACETICACID, 3-BENZOYL-2-(BENZOYLIMINO)-3,6-DIHYDRO-, ETHYL ESTER
Database identifiers
- CAS
66870-57-3- PubChem CID
- 327015
- DTXSID
DTXSID00316153
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 679
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Compound notes
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