Chemical ID: 5943664

CCCCOc1ccc(cc1)C(=O)N(CCC)Cc2nc(cs2)C(=O)OC
Chemical ID:
5943664
Name [?]:
methyl 2-[[(4-butoxybenzoyl)-propyl-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCCCOc1ccc(cc1)C(=O)N(CCC)Cc2nc(cs2)C(=O)OC
InChi [?]:
InChI=1/C20H26N2O4S/c1-4-6-12-26-16-9-7-15(8-10-16)19(23)22(11-5-2)13-18-21-17(14-27-18)20(24)25-3/h7-10,14H,4-6,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,27,2,16,3,8,10,7,11,15,4,18,22,9,6,21,19,12,24,20,14,13,25,26,5,23/E:(7,8)(9,10)/rA:27nCCCCOCCCCCCCONCCCCCNCCSCOOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s14;s18;d19;s20;d21;s19s22;s21;d24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.8749
Area:644.313
Solvation:-4.2329
Coulombic:-52.1586
Bond Count [?]
All:28
Single:21
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:390.498
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.79
LogP (Chemaxon):3.29

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