Chemical ID: 5940814

COCCCNC(=O)c1csc(n1)CN(CCCOC)C(=O)c2cc(cc(c2)Cl)Cl
Chemical ID:
5940814
Name [?]:
2-[[(3,5-dichlorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)thiazole-4-carboxamide
SMILES [?]:
COCCCNC(=O)c1csc(n1)CN(CCCOC)C(=O)c2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C20H25Cl2N3O4S/c1-28-7-3-5-23-19(26)17-13-30-18(24-17)12-25(6-4-8-29-2)20(27)14-9-15(21)11-16(22)10-14/h9-11,13H,3-8,12H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,20,4,17,5,16,3,18,24,28,26,14,10,23,25,27,9,12,7,21,30,29,6,13,15,8,22,2,19,11/E:(9,10)(15,16)(21,22)/rA:30nCOCCCNCOCCSCNCNCCCOCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;s11;s9d12;s12;s14;s15;s16;s17;s18;s19;s15;d21;s21;s23;d24;s25;d26;d23s27;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25Cl2N3O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1088
Area:729.672
Solvation:-6.13304
Coulombic:-61.1165
Bond Count [?]
All:31
Single:24
Double:7
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:474.402
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.79
LogP (Chemaxon):1.69

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Descriptor Annotations

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