Chemical ID: 5943868

CCCCCc1ccc(cc1)C(=O)N(Cc2nc(cs2)C(=O)OC)C3CC3
Chemical ID:
5943868
Name [?]:
methyl 2-[[cyclopropyl-(4-pentylbenzoyl)-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(Cc2nc(cs2)C(=O)OC)C3CC3
InChi [?]:
InChI=1/C21H26N2O3S/c1-3-4-5-6-15-7-9-16(10-8-15)20(24)23(17-11-12-17)13-19-22-18(14-27-19)21(25)26-2/h7-10,14,17H,3-6,11-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,3,4,5,7,11,8,10,26,27,15,19,6,9,25,18,16,12,21,17,14,13,22,23,20/E:(7,8)(9,10)(11,12)/rA:27nCCCCCCCCCCCCONCCNCCSCOOCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s17;d18;s16s19;s18;d21;s21;s23;s14;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.9671
Area:629.792
Solvation:-2.77772
Coulombic:-45.5943
Bond Count [?]
All:29
Single:22
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:386.509
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.9
LogP (Chemaxon):3.98

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Descriptor Annotations

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