8-methylene-7-(phenylmethyl)-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione
Basic information
- CAS
522637-90-7- Standard SMILES
C=C1c2cc3c(cc2NC(=S)N1Cc1ccccc1)OCO3- InChIKey
TYWJRVSGRQNHTN-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2S
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.07759887
Overview
8-methylene-7-(phenylmethyl)-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione is a member of quinazolines.
Names & identifiers
- Preferred name
- 8-methylene-7-(phenylmethyl)-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione
- IUPAC
- 7-benzyl-8-methylidene-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione
Names & synonyms
7-benzyl-8-methylidene-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione8-methylene-7-(phenylmethyl)-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione7-benzyl-8-methylene-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazoline-6(5H)-thione522637-90-7MLS000769931CHEMBL1429763CHEBI:109258DTXSID901320422STK036273AKOS005382480CCG-2790337-benzyl-8-methylidene-7,8-dihydro[1,3]dioxolo[4,5-g]quinazoline-6(5H)-thione
Show more names
SMR000434649Q271883367-Benzyl-8-methylene-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione7-Benzyl-8-methylidene-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazoline-6(5H)-thione
Database identifiers
- CAS
522637-90-7- PubChem CID
- 3577201
- DTXSID
DTXSID901320422- ChEMBL
CHEMBL1429763- ChEBI
CHEBI:109258
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 464
Experimental & physicochemical properties
Solubility9.8 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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