Basic information
- Standard SMILES
COC(=O)c1cc(C)c2c(c1)S(=O)(=O)Cc1cc(NC(=O)CCl)cc(Cl)c1O2- InChIKey
METXMUYYEQSZKV-UHFFFAOYSA-N- Molecular formula
- C18H15Cl2NO6S
- Average molar mass
- 444.3 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-2-(2-chloro-acetylamino)-6-methyl-10,10-dioxo-10,11-dihydro-5-oxa-10lambda*6*-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester
- IUPAC
- methyl 10-chloro-8-[(2-chloroacetyl)amino]-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate
Names & synonyms
METXMUYYEQSZKV-UHFFFAOYSA-N4-Chloro-2-(2-chloro-acetylamino)-6-methyl-10,10-dioxo-10,11-dihydro-5-oxa-10lambda*6*-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 11633641
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 711
Related reactions
28 records
Compound notes
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