Chemical ID: 7098736

Cc1ccc(cc1)C(=O)Nc2ccc3c(c2)OCC(=O)N3Cc4ccccc4
Chemical ID:
7098736
Name [?]:
N-(2-benzyl-3-oxo-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc3c(c2)OCC(=O)N3Cc4ccccc4
InChi [?]:
InChI=1/C23H20N2O3/c1-16-7-9-18(10-8-16)23(27)24-19-11-12-20-21(13-19)28-15-22(26)25(20)14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,24,28,3,7,4,6,12,13,16,22,18,2,23,5,11,14,15,19,8,10,21,20,9,17/E:(3,4)(5,6)(7,8)(9,10)/rA:28nCCCCCCCCONCCCCCCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;d19;s14s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20N2O3
All Atoms:48
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.9408
Area:585.824
Solvation:-3.70484
Coulombic:-48.4149
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:372.417
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.91
LogP (Chemaxon):3.9

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Descriptor Annotations

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