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Chemical ID: 6008666
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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