Chemical ID: 5433959

CCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)C
Chemical ID:
5433959
Name [?]:
4-propoxy-N-[5-(p-tolylmethyl)thiazol-2-yl]-benzamide
SMILES [?]:
CCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)C
InChi [?]:
InChI=1/C21H22N2O2S/c1-3-12-25-18-10-8-17(9-11-18)20(24)23-21-22-14-19(26-21)13-16-6-4-15(2)5-7-16/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,26,2,22,24,21,25,7,9,6,10,3,19,16,23,20,8,5,17,11,14,15,13,12,4,18/E:(4,5)(6,7)(8,9)(10,11)/rA:26nCCCOCCCCCCCONCNCCSCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3482
Area:616.518
Solvation:-4.06472
Coulombic:-35.6273
Bond Count [?]
All:28
Single:19
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.478
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.08
LogP (Chemaxon):5.07

Name Annotations

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Descriptor Annotations

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