Chemical ID: 5974365

Cc1ccc(cc1)NC(=O)c2cc3c(n2Cc4cccc(c4)C)cco3
Chemical ID:
5974365
Name [?]:
6-(m-tolylmethyl)-N-(p-tolyl)-2-oxa-6-azabicyclo[3.3.0]octa-3,7,9-triene-7-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cc3c(n2Cc4cccc(c4)C)cco3
InChi [?]:
InChI=1/C22H20N2O2/c1-15-6-8-18(9-7-15)23-22(25)20-13-21-19(10-11-26-21)24(20)14-17-5-3-4-16(2)12-17/h3-13H,14H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,23,19,20,18,3,7,4,6,24,25,22,12,16,2,21,17,5,14,11,13,9,8,15,10,26/E:(6,7)(8,9)/rA:26nCCCCCCCNCOCCCCNCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s12;d13;s11s14;s15;s16;s17;d18;s19;d20;d17s21;s21;s14;d24;s13s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7311
Area:553.587
Solvation:-3.10857
Coulombic:-37.4568
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:344.406
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.07
LogP (Chemaxon):5.8

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Descriptor Annotations

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