Chemical ID: 6004359

Cc1cccc(c1)c2nnc(s2)NC(=O)C(C)NC(=O)c3ccc(c(c3)Cl)Cl
Chemical ID:
6004359
Name [?]:
3,4-dichloro-N-[1-[[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]benzamide
SMILES [?]:
Cc1cccc(c1)c2nnc(s2)NC(=O)C(C)NC(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N4O2S/c1-10-4-3-5-13(8-10)18-24-25-19(28-18)23-16(26)11(2)22-17(27)12-6-7-14(20)15(21)9-12/h3-9,11H,1-2H3,(H,22,27)(H,23,25,26)
InChi Info:
AuxInfo=1/1/N:1,17,4,3,5,22,23,7,26,2,16,21,6,24,25,14,19,8,11,28,27,18,13,9,10,15,20,12/rA:28cCCCCCCCCNNCSNCOCCNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s16;s18;d19;s19;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl2N4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:12.9916
Area:662.916
Solvation:-3.58126
Coulombic:-49.3015
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:435.328
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.56
LogP (Chemaxon):4.28

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Descriptor Annotations

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