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Chemical ID: 7074070
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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