Chemical ID: 6181096

CCOC(=O)CSc1nnc(s1)NC(=O)c2cc(cc(c2)Cl)Cl
Chemical ID:
6181096
Name [?]:
ethyl 2-[[5-(3,5-dichlorobenzoyl)amino-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
SMILES [?]:
CCOC(=O)CSc1nnc(s1)NC(=O)c2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C13H11Cl2N3O3S2/c1-2-21-10(19)6-22-13-18-17-12(23-13)16-11(20)7-3-8(14)5-9(15)4-7/h3-5H,2,6H2,1H3,(H,16,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,17,21,19,6,16,18,20,4,14,11,8,23,22,13,10,9,5,15,3,7,12/E:(3,4)(8,9)(14,15)/rA:23nCCOCOCSCNNCSNCOCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11Cl2N3O3S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.6174
Area:615.885
Solvation:-3.77977
Coulombic:-44.665
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.282
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.12
LogP (Chemaxon):3.22

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