Chemical ID: 4392520

c1ccc(cc1)C2CC(=NN2C(=S)N)c3ccccc3
Chemical ID:
4392520
Name [?]:
N,N-bis(3,5-diphenyl-4,5-dihydropyrazol-2-yl)-3,5-diphenyl-4,5-dihydropyrazole-1-carbothioamide
SMILES [?]:
c1ccc(cc1)C2CC(=NN2C(=S)N)c3ccccc3
InChi [?]:
InChI=1/C16H15N3S/c17-16(20)19-15(13-9-5-2-6-10-13)11-14(18-19)12-7-3-1-4-8-12/h1-10,15H,11H2,(H2,17,20)
InChi Info:
AuxInfo=1/1/N:18,1,17,19,2,6,16,20,3,5,8,15,4,9,7,12,14,10,11,13/E:(3,4)(5,6)(7,8)(9,10)/rA:20cCCCCCCCCCNNCSNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s7s10;s11;d12;s12;s9;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.84044
Area:467.448
Solvation:-1.84577
Coulombic:-25.975
Bond Count [?]
All:22
Single:14
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.377
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.55
LogP (Chemaxon):3.59

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