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Chemical ID: 5327406
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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Experimental Annotations
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Descriptor Annotations
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