Chemical ID: 6008666

CCN(CC(=O)Nc1nccs1)C(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
6008666
Name [?]:
3,4-dichloro-N-ethyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCN(CC(=O)Nc1nccs1)C(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C14H13Cl2N3O2S/c1-2-19(8-12(20)18-14-17-5-6-22-14)13(21)9-3-4-10(15)11(16)7-9/h3-7H,2,8H2,1H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,10,11,20,4,15,18,19,5,13,8,22,21,9,7,3,6,14,12/rA:22nCCNCCONCNCCSCOCCCCCCClCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s3;d13;s13;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13Cl2N3O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.23158
Area:537.999
Solvation:-4.2184
Coulombic:-42.442
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:358.243
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.55
LogP (Chemaxon):2.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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