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Chemical ID: 4243874
Chemical ID:
4243874
Name [?]:
2-oxo-N-(2-phenoxyethyl)chromene-3-carboxamide
SMILES [?]:
c1ccc(cc1)OCCNC(=O)c2cc3ccccc3oc2=O
InChi [?]:
InChI=1/C18H15NO4/c20-17(19-10-11-22-14-7-2-1-3-8-14)15-12-13-6-4-5-9-16(13)23-18(15)21/h1-9,12H,10-11H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,18,16,3,5,19,9,8,14,15,4,13,20,11,22,10,12,23,7,21/E:(2,3)(7,8)/rA:23nCCCCCCOCCNCOCCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;d13;s14;s15;d16;s17;d18;d15s19;s20;s13s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14409 |
Area: | 518.498 |
Solvation: | -4.81836 |
Coulombic: | -48.4747 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 309.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.82 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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