Chemical ID: 5327406

COC(=O)C(c1ccccc1)NC(=O)c2cc(nc3c2cccc3)c4ccccc4
Chemical ID:
5327406
Name [?]:
methyl 2-phenyl-2-[(2-phenyl-4-quinolyl)carbonylamino]acetate
SMILES [?]:
COC(=O)C(c1ccccc1)NC(=O)c2cc(nc3c2cccc3)c4ccccc4
InChi [?]:
InChI=1/C25H20N2O3/c1-30-25(29)23(18-12-6-3-7-13-18)27-24(28)20-16-22(17-10-4-2-5-11-17)26-21-15-9-8-14-19(20)21/h2-16,23H,1H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,28,9,27,29,8,10,22,23,26,30,7,11,21,24,16,25,6,20,15,19,17,5,13,3,18,12,14,4,2/E:(4,5)(6,7)(10,11)(12,13)/rA:30cCOCOCCCCCCCNCOCCCNCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s5;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s17;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20N2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.0851
Area:627.847
Solvation:-3.61108
Coulombic:-50.5058
Bond Count [?]
All:33
Single:20
Double:13
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.438
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.84
LogP (Chemaxon):4.66

Name Annotations

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Descriptor Annotations

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