N-cyclohexyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
Basic information
- CAS
403727-75-3- Standard SMILES
CCCn1c(=S)[nH]c2cc(C(=O)NC3CCCCC3)ccc2c1=O- InChIKey
YITQLRBASCKSIA-UHFFFAOYSA-N- Molecular formula
- C18H23N3O2S
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.15109816
Names & identifiers
- Preferred name
- N-cyclohexyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
- IUPAC
- N-cyclohexyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
Names & synonyms
N-cyclohexyl-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide403727-75-3N-cyclohexyl-4-oxo-3-propyl-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamideN-cyclohexyl-4-oxo-3-propyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamideOprea1_427009MLS000621923CHEMBL1451991DTXSID401330030HMS2733J14AKOS002074476SMR000310850EU-0061620
Show more names
SR-01000562670SR-01000562670-1F6548-4300
Database identifiers
- CAS
403727-75-3- PubChem CID
- 4451522
- DTXSID
DTXSID401330030- ChEMBL
CHEMBL1451991
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 504
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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