Chemical ID: 5943699

COCCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2ccc(c(c2)Cl)Cl
Chemical ID:
5943699
Name [?]:
methyl 2-[[(3,4-dichlorobenzoyl)-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate
SMILES [?]:
COCCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C17H18Cl2N2O4S/c1-24-7-3-6-21(9-15-20-14(10-26-15)17(23)25-2)16(22)11-4-5-12(18)13(19)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,4,20,21,5,3,24,7,11,19,22,23,10,8,17,13,26,25,9,6,18,14,2,15,12/rA:26nCOCCCNCCNCCSCOOCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;d13;s13;s15;s6;d17;s17;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18Cl2N2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6769
Area:634.149
Solvation:-5.17683
Coulombic:-51.2412
Bond Count [?]
All:27
Single:20
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:417.307
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.16
LogP (Chemaxon):2.45

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