Chemical ID: 5945082

CCCCCCc1ccc(cc1)C(=O)N(CCCOC)Cc2nc(cs2)C(=O)OCC
Chemical ID:
5945082
Name [?]:
ethyl 2-[[(4-hexylbenzoyl)-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCCCCCc1ccc(cc1)C(=O)N(CCCOC)Cc2nc(cs2)C(=O)OCC
InChi [?]:
InChI=1/C24H34N2O4S/c1-4-6-7-8-10-19-11-13-20(14-12-19)23(27)26(15-9-16-29-3)17-22-25-21(18-31-22)24(28)30-5-2/h11-14,18H,4-10,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,20,2,30,3,4,5,17,6,8,12,9,11,16,18,21,25,7,10,24,22,13,27,23,15,14,28,19,29,26/E:(11,12)(13,14)/rA:31nCCCCCCCCCCCCCONCCCOCCCNCCSCOOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s19;s15;s21;d22;s23;d24;s22s25;s24;d27;s27;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H34N2O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:14.3353
Area:754.709
Solvation:-4.53244
Coulombic:-53.7013
Bond Count [?]
All:32
Single:25
Double:7
Rotors:16
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:446.604
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.51
LogP (Chemaxon):4.21

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Descriptor Annotations

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