Carbonothioic acid, S-((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)-, O-methyl ester
Basic information
- CAS
108635-39-8- Standard SMILES
COC(=O)SCc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1Cl- InChIKey
YBRMCNJWGCPXPM-UHFFFAOYSA-N- Molecular formula
- C17H11Br2ClN2O3S
- Average molar mass
- 518.6 g/mol
- Monoisotopic mass
- 515.85457
Names & identifiers
- Preferred name
- Carbonothioic acid, S-((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)-, O-methyl ester
- IUPAC
- methyl [6,8-dibromo-3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]methylsulfanylformate
Names & synonyms
108635-39-8Carbonothioic acid, S-((6,8-dibromo-3-(2-chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl)methyl)-, O-methyl esterDTXSID40148652RefChem:333541DTXCID3071143S-{[6,8-Dibromo-3-(2-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl} O-methyl carbonothioate
Database identifiers
- CAS
108635-39-8- PubChem CID
- 3065701
- DTXSID
DTXSID40148652
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 594
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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