Basic information
- Standard SMILES
COC(=O)C(=CC1CCCC1)c1ccc(-n2nnnc2C)c(S(C)(=O)=O)c1- InChIKey
HABHISJDRYEPFC-UHFFFAOYSA-N- Molecular formula
- C18H22N4O4S
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- Methyl 3-cyclopentyl-2-[3-methylsulfonyl-4-(5-methyltetrazol-1-yl)phenyl]prop-2-enoate
- IUPAC
- methyl 3-cyclopentyl-2-[3-methylsulfonyl-4-(5-methyltetrazol-1-yl)phenyl]prop-2-enoate
Names & synonyms
SCHEMBL2662758
Database identifiers
- PubChem CID
- 67488140
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 669
Related reactions
2 records
Compound notes
Loading…