Chemical ID: 7027160

c1cc(ccc1C=NNc2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCCC4)Cl
Chemical ID:
7027160
Name [?]:
N-[(4-chlorophenyl)methyleneamino]-4-(4-pyrrolidin-1-ylsulfonylphenyl)-thiazol-2-amine
SMILES [?]:
c1cc(ccc1C=NNc2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCCC4)Cl
InChi [?]:
InChI=1/C20H19ClN4O2S2/c21-17-7-3-15(4-8-17)13-22-24-20-23-19(14-28-20)16-5-9-18(10-6-16)29(26,27)25-11-1-2-12-25/h3-10,13-14H,1-2,11-12H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:26,27,1,5,16,20,2,4,17,19,25,28,7,13,6,15,3,18,12,10,29,8,11,9,24,22,23,14,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(26,27)/CRV:29.6/rA:29nCCCCCCCNNCNCCSCCCCCCSOONCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;d21;d21;s21;s24;s25;s26;s24s27;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN4O2S2
All Atoms:48
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.3301
Area:670.111
Solvation:-3.42267
Coulombic:-25.2244
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:446.975
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.39
LogP (Chemaxon):5.12

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Descriptor Annotations

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