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Chemical ID: 4392520
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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