Basic information
- Standard SMILES
CCOC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)c(NC(=O)OC(C)(C)C)c2)cn1- InChIKey
YWTPAGHLSJLZEW-UHFFFAOYSA-N- Molecular formula
- C20H23ClN4O5S
- Average molar mass
- 466.9 g/mol
Names & identifiers
- Preferred name
- Ethyl {[(5-{3-[(tert-butoxycarbonyl)amino]-4-chlorophenoxy}pyridin-2-yl)amino]carbonothioyl}carbamate
- IUPAC
- tert-butyl N-[2-chloro-5-[[6-(ethoxycarbonylcarbamothioylamino)-3-pyridinyl]oxy]phenyl]carbamate
Names & synonyms
SCHEMBL13636124YWTPAGHLSJLZEW-UHFFFAOYSA-Nethyl {[(5-{3-[(tert-butoxycarbonyl)amino]-4-chlorophenoxy}pyridin-2-yl)amino]carbonothioyl}carbamateethyl{[(5-{3-[(tert-butoxycarbonyl)amino]-4-chlorophenoxy}pyridin-2-yl)amino]carbonothioyl}carbamate
Database identifiers
- PubChem CID
- 57749196
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 633
Related reactions
3 records
Linked notes
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