1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]thiourea

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]thiourea

CAS: 1233369-41-9

Formula: C25H23F6N3S

SMILES: CN(C)[C@H]([C@@H](NC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-(dimethylamino)-1,2-diphenylethyl]thiourea

InChI: InChI=1S/C25H23F6N3S/c1-34(2)22(17-11-7-4-8-12-17)21(16-9-5-3-6-10-16)33-23(35)32-20-14-18(24(26,27)28)13-19(15-20)25(29,30)31/h3-15,21-22H,1-2H3,(H2,32,33,35)/t21-,22-/m0/s1

Composition: C (58.70%), H (4.53%), F (22.28%), N (8.21%), S (6.27%)

Molar Mass: 511.53

Atom Count: 58

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	511.151687905
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	KGAOVNMFMGIVJT-VXKWHMMOSA-N
Lipinski's Rule of Five
Molar Refractivity	131.02
Topological Polar Surface Area	27.3
Polarizability	47.94
Ring Count	3
Rotatable Bond Count	8

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