Chemical ID: 5945781

CCOCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
5945781
Name [?]:
ethyl 2-[[(3,4-dichlorobenzoyl)-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCOCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C19H22Cl2N2O4S/c1-3-26-9-5-8-23(18(24)13-6-7-14(20)15(21)10-13)11-17-22-16(12-28-17)19(25)27-4-2/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,17,5,22,23,6,4,26,8,12,21,24,25,11,9,19,14,28,27,10,7,20,15,3,16,13/rA:28nCCOCCCNCCNCCSCOOCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s9s12;s11;d14;s14;s16;s17;s7;d19;s19;s21;d22;s23;d24;d21s25;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22Cl2N2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.2407
Area:689.816
Solvation:-5.00466
Coulombic:-51.7637
Bond Count [?]
All:29
Single:22
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:445.36
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.0
LogP (Chemaxon):3.14

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Descriptor Annotations

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