Chemical ID: 6008612

CCN(CC(=O)Nc1nc(cs1)C)C(=O)c2ccc(c(c2)Cl)Cl
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

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Descriptor Annotations

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