Basic information
- Standard SMILES
CCOC(=O)NC(=S)Nc1ccc(Oc2cccc(NC(=O)c3cc(C)nn3C)c2)cn1- InChIKey
PZHHVMBUOORJSN-UHFFFAOYSA-N- Molecular formula
- C21H22N6O4S
- Average molar mass
- 454.5 g/mol
Names & identifiers
- Preferred name
- ethyl ({[5-(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenoxy)pyridin-2-yl]amino}carbonothioyl)carbamate
- IUPAC
- ethyl N-[[5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenoxy]-2-pyridinyl]carbamothioyl]carbamate
Names & synonyms
SCHEMBL3681543PZHHVMBUOORJSN-UHFFFAOYSA-Nethyl ({[5-(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenoxy)pyridin-2-yl]amino}carbonothioyl)carbamate
Database identifiers
- PubChem CID
- 57749218
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 668
Related reactions
3 records
Compound notes
Loading…