N-(benzylcarbamoyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Basic information
- CAS
764691-48-7- Standard SMILES
COCC(C)n1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc2c1=O- InChIKey
VUYWNIDPTKLZNU-UHFFFAOYSA-N- Molecular formula
- C22H24N4O4S
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.15182643
Names & identifiers
- Preferred name
- N-(benzylcarbamoyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
- IUPAC
- N-(benzylcarbamoyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Names & synonyms
N-(benzylcarbamoyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamideMLS002248346CHEMBL1716588DTXSID101330693HMS3083O12AKOS033778387764691-48-7SMR001315820Z21625663N-(Benzylcarbamoyl)-2-{[3-(1-methoxypropan-2-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Database identifiers
- CAS
764691-48-7- PubChem CID
- 4336595
- DTXSID
DTXSID101330693- ChEMBL
CHEMBL1716588
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 680
Experimental & physicochemical properties
Solubility2.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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