Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CSCCN(Cc2cc(Cl)nc(Cl)c2)C1=O- InChIKey
UXCUJFBLEVZICZ-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2N3O3S
- Average molar mass
- 406.3 g/mol
Names & identifiers
- Preferred name
- Tert-butyl[4-(2,6-dichloropyrid-4-ylmethyl)-5-oxoperhydro-1,4-thiazepin-6-yl]carbamate
- IUPAC
- tert-butyl N-[4-[(2,6-dichloro-4-pyridinyl)methyl]-5-oxo-1,4-thiazepan-6-yl]carbamate
Names & synonyms
SCHEMBL13818397UXCUJFBLEVZICZ-UHFFFAOYSA-Ntert-butyl [4-(2,6-dichloropyrid-4-ylmethyl)-5-oxoperhydro-1,4-thiazepin-6-yl]carbamatetert-butyl[4-(2,6-dichloropyrid-4-ylmethyl)-5-oxoperhydro-1,4-thiazepin-6-yl]carbamate
Database identifiers
- PubChem CID
- 57722295
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 480
Related reactions
3 records
Compound notes
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