Chemical ID: 6004461

Cc1ccc(cc1)c2nnc(s2)NC(=O)C(C)NC(=O)c3cccc(c3)Cl
Chemical ID:
6004461
Name [?]:
3-chloro-N-[1-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]benzamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(s2)NC(=O)C(C)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C19H17ClN4O2S/c1-11-6-8-13(9-7-11)18-23-24-19(27-18)22-16(25)12(2)21-17(26)14-4-3-5-15(20)10-14/h3-10,12H,1-2H3,(H,21,26)(H,22,24,25)
InChi Info:
AuxInfo=1/1/N:1,17,23,22,24,3,7,4,6,26,2,16,5,21,25,14,19,8,11,27,18,13,9,10,15,20,12/E:(6,7)(8,9)/rA:27cCCCCCCCCNNCSNCOCCNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.4353
Area:636.672
Solvation:-3.48147
Coulombic:-49.4497
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:400.883
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.94
LogP (Chemaxon):3.76

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