4-(2,4-diphenylpyrimidine-5-carbonyl)thiomorpholine

4-(2,4-diphenylpyrimidine-5-carbonyl)thiomorpholine

CAS: 338772-01-3

Formula: C21H19N3OS

SMILES: O=C(N1CCSCC1)C1=C(N=C(N=C1)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 4-(2,4-diphenylpyrimidine-5-carbonyl)thiomorpholine

InChI: InChI=1S/C21H19N3OS/c25-21(24-11-13-26-14-12-24)18-15-22-20(17-9-5-2-6-10-17)23-19(18)16-7-3-1-4-8-16/h1-10,15H,11-14H2

Composition: C (69.78%), H (5.30%), N (11.63%), O (4.43%), S (8.87%)

Molar Mass: 361.46

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	361.124883418
Formal Charge	0
FSP3	0.19
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KDKZQQKNCZHNGQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.13
Topological Polar Surface Area	46.09
Polarizability	42.36
Ring Count	4
Rotatable Bond Count	3

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