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Chemical ID: 5974365
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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