Basic information
- Standard SMILES
O=C(CSc1nc(C(=O)O)cs1)NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1- InChIKey
JGXCXOKWQWAFFJ-LBPRGKRZSA-N- Molecular formula
- C18H19Cl2N3O4S2
- Average molar mass
- 476.4 g/mol
- Monoisotopic mass
- 475.0194038
Names & identifiers
- Preferred name
- (2S)-(4-carboxythiazol-2-ylthio)-N-{[4-(3,4-dichlorobenzyl)morpholin-2-yl]methyl}acetamide
- IUPAC
- 2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazole-4-carboxylic acid
Names & synonyms
SCHEMBL1810238JGXCXOKWQWAFFJ-LBPRGKRZSA-N(2S)-(4-carboxythiazol-2-ylthio)-N-{[4-(3,4-dichlorobenzyl)morpholin-2-yl]methyl}acetamide
Database identifiers
- PubChem CID
- 59009100
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 577
Related reactions
2 records
Compound notes
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