Chemical ID: 6282818

CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3OC)OC
Chemical ID:
6282818
Name [?]:
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C21H23N3O4/c1-21(2,3)14-8-6-13(7-9-14)18(25)22-20-24-23-19(28-20)16-11-10-15(26-4)12-17(16)27-5/h6-12H,1-5H3,(H,22,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,4,28,26,7,9,6,10,21,20,23,8,5,22,19,24,11,17,14,2,13,16,15,12,27,25,18/E:(1,2,3)(6,7)(8,9)/rA:28nCCCCCCCCCCCONCNNCOCCCCCCOCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.2481
Area:612.087
Solvation:-5.05413
Coulombic:-51.7285
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:381.425
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.0
LogP (Chemaxon):3.99

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Descriptor Annotations

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