Chemical ID: 5940756

COCCCNC(=O)c1csc(n1)CN(CCCOC)C(=O)c2ccccc2Cl
Chemical ID:
5940756
Name [?]:
2-[[(2-chlorobenzoyl)-(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)thiazole-4-carboxamide
SMILES [?]:
COCCCNC(=O)c1csc(n1)CN(CCCOC)C(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C20H26ClN3O4S/c1-27-11-5-9-22-19(25)17-14-29-18(23-17)13-24(10-6-12-28-2)20(26)15-7-3-4-8-16(15)21/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,20,25,26,4,17,24,27,5,16,3,18,14,10,23,28,9,12,7,21,29,6,13,15,8,22,2,19,11/rA:29nCOCCCNCOCCSCNCNCCCOCCOCCCCCCCl/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;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26ClN3O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.183
Area:705.136
Solvation:-6.44537
Coulombic:-61.3509
Bond Count [?]
All:30
Single:23
Double:7
Rotors:14
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:439.957
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.17
LogP (Chemaxon):1.17

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Descriptor Annotations

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