Chemical ID: 5943768

CCCCc1ccc(cc1)C(=O)N(CCCOCC)Cc2nc(cs2)C(=O)OC
Chemical ID:
5943768
Name [?]:
methyl 2-[[(4-butylbenzoyl)-(3-ethoxypropyl)amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CCCOCC)Cc2nc(cs2)C(=O)OC
InChi [?]:
InChI=1/C22H30N2O4S/c1-4-6-8-17-9-11-18(12-10-17)21(25)24(13-7-14-28-5-2)15-20-23-19(16-29-20)22(26)27-3/h9-12,16H,4-8,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,29,2,18,3,15,4,6,10,7,9,14,16,20,24,5,8,23,21,11,26,22,13,12,27,28,17,25/E:(9,10)(11,12)/rA:29nCCCCCCCCCCCONCCCOCCCCNCCSCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;s16;s17;s18;s13;s20;d21;s22;d23;s21s24;s23;d26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H30N2O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.968
Area:700.091
Solvation:-4.53428
Coulombic:-52.9785
Bond Count [?]
All:30
Single:23
Double:7
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:418.551
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.37
LogP (Chemaxon):3.41

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Descriptor Annotations

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