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Chemical ID: 7074128
Chemical ID:
7074128
Name [?]:
N-[(3-chlorophenyl)methyleneamino]-4-(3-morpholinosulfonylphenyl)-thiazol-2-amine
SMILES [?]:
c1cc(cc(c1)Cl)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCOCC4
InChi [?]:
InChI=1/C20H19ClN4O3S2/c21-17-5-1-3-15(11-17)13-22-24-20-23-19(14-29-20)16-4-2-6-18(12-16)30(26,27)25-7-9-28-10-8-25/h1-6,11-14H,7-10H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,6,19,26,30,27,29,4,21,8,14,3,16,5,20,13,11,7,9,12,10,25,23,24,28,15,22/E:(7,8)(9,10)(26,27)/CRV:30.6/rA:30nCCCCCCClCNNCNCCSCCCCCCSOONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s3;w8;s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;d22;d22;s22;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN4O3S2 |
All Atoms: | 49 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4604 |
Area: | 679.874 |
Solvation: | -4.53642 |
Coulombic: | -33.1886 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 462.975 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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