Basic information
- Standard SMILES
CC(C)(C)c1cc(SC#N)cc2sc(N(CCN3CCOCC3)C(=O)[O-])nc12- InChIKey
NLANLRIZXNZNJL-UHFFFAOYSA-M- Molecular formula
- C19H23N4O3S2-
- Average molar mass
- 419.5 g/mol
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl[2-(morpholin-4-yl)ethyl](6-thiocyanato-1,3-benzothiazol-2-yl)carbamate
- IUPAC
- N-(4-tert-butyl-6-thiocyanato-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)carbamate
Names & synonyms
NLANLRIZXNZNJL-UHFFFAOYSA-M1,1-dimethylethyl[2-(morpholin-4-yl)ethyl](6-thiocyanato-1,3-benzothiazol-2-yl)carbamate
Database identifiers
- PubChem CID
- 86647892
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- -1
- Complexity
- 594
Related reactions
3 records
Compound notes
Loading…