Chemical ID: 5945697

CCCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2ccccc2C
Chemical ID:
5945697
Name [?]:
ethyl 2-[[(2-methylbenzoyl)-pentyl-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2ccccc2C
InChi [?]:
InChI=1/C20H26N2O3S/c1-4-6-9-12-22(19(23)16-11-8-7-10-15(16)3)13-18-21-17(14-26-18)20(24)25-5-2/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,26,2,16,3,23,22,4,24,21,5,7,11,25,20,10,8,18,13,9,6,19,14,15,12/rA:26nCCCCCNCCNCCSCOOCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;d13;s13;s15;s16;s6;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.4432
Area:624.562
Solvation:-3.17082
Coulombic:-45.6385
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:374.498
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.52
LogP (Chemaxon):3.94

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