Chemical ID: 6118607

COc1cccc(c1)NN=C2C(=N)NN(C2=N)S(=O)(=O)C
Chemical ID:
6118607
Name [?]:
N-(3,5-diimino-1-methylsulfonyl-pyrazolidin-4-ylidene)amino-3-methoxy-aniline
SMILES [?]:
COc1cccc(c1)NN=C2C(=N)NN(C2=N)S(=O)(=O)C
InChi [?]:
InChI=1/C11H14N6O3S/c1-20-8-5-3-4-7(6-8)14-15-9-10(12)16-17(11(9)13)21(2,18)19/h3-6,13-14H,1-2H3,(H2,12,16)
InChi Info:
AuxInfo=1/1/N:1,21,5,6,4,8,7,3,11,12,16,13,17,9,10,14,15,19,20,2,18/E:(18,19)/CRV:21.6/rA:21nCOCCCCCCNNCCNNNCNSOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;w10;s11;w12;s12;s14;s11s15;w16;s15;d18;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N6O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.1454
Area:495.605
Solvation:-5.24472
Coulombic:-52.4347
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:3
Rigid Segments:4
Chemical Properties
Molecular Weight:310.333
H-Bond Donors:4
H-Bond Acceptors:9
XLogP:1.76
LogP (Chemaxon):1.19

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