Chemical ID: 7074070

CCN(CC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3ccc(cc3)C(C)C
Chemical ID:
7074070
Name [?]:
N,N-diethyl-3-[2-[(4-isopropylphenyl)methyleneaminoamino]thiazol-4-yl]-benzenesulfonamide
SMILES [?]:
CCN(CC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3ccc(cc3)C(C)C
InChi [?]:
InChI=1/C23H28N4O2S2/c1-5-27(6-2)31(28,29)21-9-7-8-20(14-21)22-16-30-23(25-22)26-24-15-18-10-12-19(13-11-18)17(3)4/h7-17H,5-6H2,1-4H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,5,30,31,2,4,11,12,10,24,28,25,27,14,22,16,29,23,26,13,9,15,18,21,19,20,3,7,8,17,6/E:(1,2)(3,4)(5,6)(10,11)(12,13)(28,29)/CRV:31.6/rA:31nCCNCCSOOCCCCCCCCSCNNNCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;d15;s16;s17;s15d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s26;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28N4O2S2
All Atoms:59
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:14.3679
Area:713.0
Solvation:-3.45706
Coulombic:-25.8334
Bond Count [?]
All:33
Single:22
Double:11
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:456.626
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.52
LogP (Chemaxon):6.15

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