3-((2-(p-Methoxyphenyl)imino-4-oxo-3-thiazolidinyl)methyl)-6-nitro-4(3H)-quinazolinone
Basic information
- CAS
74875-91-5- Standard SMILES
COc1ccc(N=C2SCC(=O)N2Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1- InChIKey
YOOSSMULGFMIFE-UHFFFAOYSA-N- Molecular formula
- C19H15N5O5S
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.07938977
Names & identifiers
- Preferred name
- 3-((2-(p-Methoxyphenyl)imino-4-oxo-3-thiazolidinyl)methyl)-6-nitro-4(3H)-quinazolinone
- IUPAC
- 2-(4-methoxyphenyl)imino-3-[(6-nitro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazolidin-4-one
Names & synonyms
BRN 49476743-((2-(p-Methoxyphenyl)imino-4-oxo-3-thiazolidinyl)methyl)-6-nitro-4(3H)-quinazolinone4(3H)-Quinazolinone, 3-((2-(p-methoxyphenyl)imino-4-oxo-3-thiazolidinyl)methyl)-6-nitro-74875-91-5
Database identifiers
- CAS
74875-91-5- PubChem CID
- 63552
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 761
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Compound notes
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