Chemical ID: 5943821

CCCCc1ccc(cc1)C(=O)N(Cc2nc(cs2)C(=O)OC)C(C)C
Chemical ID:
5943821
Name [?]:
methyl 2-[[(4-butylbenzoyl)-isopropyl-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(Cc2nc(cs2)C(=O)OC)C(C)C
InChi [?]:
InChI=1/C20H26N2O3S/c1-5-6-7-15-8-10-16(11-9-15)19(23)22(14(2)3)12-18-21-17(13-26-18)20(24)25-4/h8-11,13-14H,5-7,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,26,23,2,3,4,6,10,7,9,14,18,24,5,8,17,15,11,20,16,13,12,21,22,19/E:(2,3)(8,9)(10,11)/rA:26nCCCCCCCCCCCONCCNCCSCOOCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;s15s18;s17;d20;s20;s22;s13;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.4107
Area:608.22
Solvation:-2.79479
Coulombic:-45.7572
Bond Count [?]
All:27
Single:20
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:374.498
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.67
LogP (Chemaxon):3.94

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Descriptor Annotations

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