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Chemical ID: 5637022
Chemical ID:
5637022
Name [?]:
4-hydroxy-2-oxo-N-[2-(2-phenylacetyl)aminoethyl]chromene-3-carboxamide
SMILES [?]:
c1ccc(cc1)CC(=O)NCCNC(=O)c2c(c3ccccc3oc2=O)O
InChi [?]:
InChI=1/C20H18N2O5/c23-16(12-13-6-2-1-3-7-13)21-10-11-22-19(25)17-18(24)14-8-4-5-9-15(14)27-20(17)26/h1-9,24H,10-12H2,(H,21,23)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,21,3,5,19,22,11,12,7,4,18,23,8,16,17,14,25,10,13,9,27,15,26,24/E:(2,3)(6,7)/rA:27nCCCCCCCCONCCNCOCCCCCCCCOCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;d14;s14;d16;s17;s18;d19;s20;d21;d18s22;s23;s16s24;d25;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92091 |
Area: | 599.794 |
Solvation: | -5.07393 |
Coulombic: | -77.2027 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 366.367 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.47 |
LogP (Chemaxon): | 2.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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