Chemical ID: 3891070

CCC(=O)N(CCc1ccc(c(c1)OC)OC)c2nc(cs2)c3ccc(cc3)C
Chemical ID:
3891070
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-(p-tolyl)thiazol-2-yl]-propanamide
SMILES [?]:
CCC(=O)N(CCc1ccc(c(c1)OC)OC)c2nc(cs2)c3ccc(cc3)C
InChi [?]:
InChI=1/C23H26N2O3S/c1-5-22(26)25(13-12-17-8-11-20(27-3)21(14-17)28-4)23-24-19(15-29-23)18-9-6-16(2)7-10-18/h6-11,14-15H,5,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,17,15,2,25,27,9,24,28,10,7,6,13,21,26,8,23,20,11,12,3,18,19,5,4,16,14,22/E:(6,7)(9,10)/rA:29nCCCONCCCCCCCCOCOCCNCCSCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s5;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.7013
Area:648.65
Solvation:-5.51498
Coulombic:-38.0737
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:410.53
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.37
LogP (Chemaxon):5.1

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Descriptor Annotations

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