Basic information
- CAS
108635-33-2- Standard SMILES
COC(=O)SCc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1OC- InChIKey
LRCJQRHYHUOVED-UHFFFAOYSA-N- Molecular formula
- C18H14Br2N2O4S
- Average molar mass
- 514.2 g/mol
- Monoisotopic mass
- 511.9041
Names & identifiers
- Preferred name
- Carbonothioic acid, S-((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)-, O-methyl ester
- IUPAC
- methyl [6,8-dibromo-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]methylsulfanylformate
Names & synonyms
108635-33-2Carbonothioic acid, S-((6,8-dibromo-3,4-dihydro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)-, O-methyl esterDTXSID90148647RefChem:333540DTXCID4071138S-{[6,8-Dibromo-3-(2-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl} O-methyl carbonothioate
Database identifiers
- CAS
108635-33-2- PubChem CID
- 3065699
- DTXSID
DTXSID90148647
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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