VZM
- Molecular formula
- C11 H11 N3 O2 S
- Molecular weight (g/mol)
- 249.3
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea
- SMILES
- COc1ccc(cn1)NC(=O)Nc2cccs2
- Isomeric SMILES
- COc1ccc(cn1)NC(=O)Nc2cccs2
- InChI
- InChI=1S/C11H11N3O2S/c1-16-9-5-4-8(7-12-9)13-11(15)14-10-3-2-6-17-10/h2-7H,1H3,(H2,13,14,15)
- InChIKey
- QQTNSKDCQAMODS-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 4
- HBD
- 2
- TPSA (Ų)
- 63.25
- cLogP
- 2.8
- Chiral atoms
- 0
- Molar refractivity
- 67.75
- Rings
- 2
- Aromatic rings
- 2
- Fraction Csp³
- 0.09
- Formal charge
- 0
Calculated properties
QED0.879
NPScore-0.457264505
SAScore7.051094083