Chemical ID: 6800971

Cc1ccc(cc1)Cn2c3cc(oc3cc2C(=O)Nc4ccc(cc4C)F)C
Chemical ID:
6800971
Name [?]:
N-(4-fluoro-2-methyl-phenyl)-3-methyl-8-(p-tolylmethyl)-4-oxa-8-azabicyclo[3.3.0]octa-2,6,9-triene-7-carboxamide
SMILES [?]:
Cc1ccc(cc1)Cn2c3cc(oc3cc2C(=O)Nc4ccc(cc4C)F)C
InChi [?]:
InChI=1/C23H21FN2O2/c1-14-4-6-17(7-5-14)13-26-20-11-16(3)28-22(20)12-21(26)23(27)25-19-9-8-18(24)10-15(19)2/h4-12H,13H2,1-3H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,26,28,3,7,4,6,22,21,24,11,15,8,2,25,12,5,23,20,10,16,14,17,27,19,9,18,13/E:(4,5)(6,7)/rA:28nCCCCCCCCNCCCOCCCCONCCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d10s13;s14;s9d15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s23;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21FN2O2
All Atoms:49
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.4362
Area:560.454
Solvation:-3.57516
Coulombic:-40.3219
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:376.424
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.26
LogP (Chemaxon):5.31

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Descriptor Annotations

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