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Chemical ID: 6008612
Chemical ID:
6008612
Name [?]:
3,4-dichloro-N-ethyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C15H15Cl2N3O2S/c1-3-20(7-13(21)19-15-18-9(2)8-23-15)14(22)10-4-5-11(16)12(17)6-10/h4-6,8H,3,7H2,1-2H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,13,2,17,18,21,4,11,10,16,19,20,5,14,8,23,22,9,7,3,6,15,12/rA:23nCCNCCONCNCCSCCOCCCCCCClCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s10;s3;d14;s14;s16;d17;s18;d19;d16s20;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15Cl2N3O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1817 |
Area: | 556.838 |
Solvation: | -3.73923 |
Coulombic: | -43.0119 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.1 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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