4-(2,6-Dimethylmorpholino)-5,6,7,8-tetrahydro-2-quinazolinyl 4-methylbenzyl sulfide
Basic information
- CAS
672951-64-3- Standard SMILES
Cc1ccc(CSc2nc3c(c(N4CC(C)OC(C)C4)n2)CCCC3)cc1- InChIKey
VCOQOZTTXTZUBV-UHFFFAOYSA-N- Molecular formula
- C22H29N3OS
- Average molar mass
- 383.6 g/mol
Names & identifiers
- Preferred name
- 4-(2,6-Dimethylmorpholino)-5,6,7,8-tetrahydro-2-quinazolinyl 4-methylbenzyl sulfide
- IUPAC
- 2,6-dimethyl-4-[2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine
- English name
- 4-(2,6-Dimethylmorpholino)-5,6,7,8-tetrahydro-2-quinazolinyl 4-methylbenzyl sulfide
- Molecular formula
- C22H29N3OS
- Molecular weight
- 383.55
Names & synonyms
672951-64-34-(2,6-dimethylmorpholino)-5,6,7,8-tetrahydro-2-quinazolinyl 4-methylbenzyl sulfide2,6-dimethyl-4-[2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine4-(2,6-dimethylmorpholin-4-yl)-2-{[(4-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazolineBionet1_003077Oprea1_723094HMS577F19AKOS0050962786N-309S2,6-Dimethyl-4-(2-((4-methylbenzyl)thio)-5,6,7,8-tetrahydroquinazolin-4-yl)morpholineQuinazoline, 4-(2,6-dimethyl-4-morpholinyl)-5,6,7,8-tetrahydro-2-[[(4-methylphenyl)methyl]thio]-
Database identifiers
- CAS
672951-64-3
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Boiling point
- 577 · 577.0±50.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 5.42 · 5.42±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…