(2,4-Diphenyl-5-pyrimidinyl)(1,4-thiazinan-4-yl)methanone
Basic information
- CAS
338772-01-3- Standard SMILES
O=C(c1cnc(-c2ccccc2)nc1-c1ccccc1)N1CCSCC1- InChIKey
KDKZQQKNCZHNGQ-UHFFFAOYSA-N- Molecular formula
- C21H19N3OS
- Average molar mass
- 361.5 g/mol
Names & identifiers
- Preferred name
- (2,4-Diphenyl-5-pyrimidinyl)(1,4-thiazinan-4-yl)methanone
- IUPAC
- (2,4-diphenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
- English name
- (2,4-Diphenyl-5-pyrimidinyl)(1,4-thiazinan-4-yl)methanone
- Molecular formula
- C21H19N3OS
- Molecular weight
- 361.46
Names & synonyms
338772-01-34-(2,4-diphenylpyrimidine-5-carbonyl)thiomorpholine(2,4-diphenyl-5-pyrimidinyl)(1,4-thiazinan-4-yl)methanone(2,4-diphenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanoneBionet1_001322Oprea1_756208HMS571O04AKOS0050852392J-523SMethanone, (2,4-diphenyl-5-pyrimidinyl)-4-thiomorpholinyl-
Database identifiers
- CAS
338772-01-3
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Boiling point
- 518 · 518.0±50.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- pka
- 0.04 · 0.04±0.29(Predicted)
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Compound notes
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