Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCc1ccc2cc(-c3ccnc(Cl)n3)sc2c1- InChIKey
MRORCVDHNJKPPY-UHFFFAOYSA-N- Molecular formula
- C18H18ClN3O2S
- Average molar mass
- 375.9 g/mol
Names & identifiers
- Preferred name
- [2-(2-Chloropyrimidin-4-yl)-benzo[b]thiophen-6-ylmethyl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[[2-(2-chloropyrimidin-4-yl)-1-benzothiophen-6-yl]methyl]carbamate
Names & synonyms
SCHEMBL3969552MRORCVDHNJKPPY-UHFFFAOYSA-N[2-(2-chloropyrimidin-4-yl)-benzo[b]thiophen-6-ylmethyl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86625348
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 474
Related reactions
3 records
Compound notes
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