Basic information
- Standard SMILES
CN1COCN(Cc2cnc(SCc3ccccc3)s2)C1=N[N+](=O)[O-]- InChIKey
NEKLRVZZAZHDGT-UHFFFAOYSA-N- Molecular formula
- C15H17N5O3S2
- Average molar mass
- 379.5 g/mol
Names & identifiers
- Preferred name
- 3-(2-Benzylthiothiazol-5-ylmethyl)-5-methyl-4-nitroimino-perhydro-1,3,5-oxadiazine
- IUPAC
- N-[3-[(2-benzylsulfanyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
Names & synonyms
SCHEMBL6182137NEKLRVZZAZHDGT-UHFFFAOYSA-N3-(2-benzylthio-thiazol-5-yl-methyl)-5-methyl-4-nitroimino-perhydro-1,3,5-oxadiazine3-(2-benzylthiothiazol-5-ylmethyl)-5-methyl-4 -nitroimino-perhydro-1,3,5-oxadiazine3-(2-benzylthiothiazol-5-ylmethyl)-5-methyl-4-nitroimino-perhydro-1,3,5-oxadiazine
Database identifiers
- PubChem CID
- 54106970
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Related reactions
7 records
Compound notes
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