Chemical ID: 5945710

CCCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2ccc(cc2)C(C)(C)C
Chemical ID:
5945710
Name [?]:
ethyl 2-[[pentyl-(4-tert-butylbenzoyl)-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C23H32N2O3S/c1-6-8-9-14-25(15-20-24-19(16-29-20)22(27)28-7-2)21(26)17-10-12-18(13-11-17)23(3,4)5/h10-13,16H,6-9,14-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,17,27,28,29,2,16,3,4,21,25,22,24,5,7,11,20,23,10,8,18,13,26,9,6,19,14,15,12/E:(3,4,5)(10,11)(12,13)/rA:29nCCCCCNCCNCCSCOOCCCOCCCCCCCCCC/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;s23;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.9793
Area:685.857
Solvation:-3.16711
Coulombic:-46.3641
Bond Count [?]
All:30
Single:23
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:416.578
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.9
LogP (Chemaxon):5.1

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Descriptor Annotations

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