Chemical ID: 5945708

CCCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
5945708
Name [?]:
ethyl 2-[[(3,4-dichlorobenzoyl)-pentyl-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C19H22Cl2N2O3S/c1-3-5-6-9-23(18(24)13-7-8-14(20)15(21)10-13)11-17-22-16(12-27-17)19(25)26-4-2/h7-8,10,12H,3-6,9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,16,3,4,21,22,5,25,7,11,20,23,24,10,8,18,13,27,26,9,6,19,14,15,12/rA:27nCCCCCNCCNCCSCOOCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;d13;s13;s15;s16;s6;d18;s18;s20;d21;s22;d23;d20s24;s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22Cl2N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.3365
Area:665.993
Solvation:-3.31335
Coulombic:-45.4293
Bond Count [?]
All:28
Single:21
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:429.361
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.33
LogP (Chemaxon):4.51

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Descriptor Annotations

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