Chemical ID: 5945142

CCCCc1ccc(cc1)C(=O)N(Cc2nc(cs2)C(=O)OCC)C3CCCCC3
Chemical ID:
5945142
Name [?]:
ethyl 2-[[(4-butylbenzoyl)-cyclohexyl-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(Cc2nc(cs2)C(=O)OCC)C3CCCCC3
InChi [?]:
InChI=1/C24H32N2O3S/c1-3-5-9-18-12-14-19(15-13-18)23(27)26(20-10-7-6-8-11-20)16-22-25-21(17-30-22)24(28)29-4-2/h12-15,17,20H,3-11,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,23,3,28,27,29,4,26,30,6,10,7,9,14,18,5,8,25,17,15,11,20,16,13,12,21,22,19/E:(7,8)(10,11)(12,13)(14,15)/rA:30nCCCCCCCCCCCONCCNCCSCOOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;s15s18;s17;d20;s20;s22;s23;s13;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N2O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.5206
Area:655.625
Solvation:-2.87006
Coulombic:-46.4749
Bond Count [?]
All:32
Single:25
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:428.589
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.03
LogP (Chemaxon):5.11

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Descriptor Annotations

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