Chemical ID: 5440532

c1ccc2c(c1)c(=O)cc(o2)C(=O)NCCN3CCOCC3
Chemical ID:
5440532
Name [?]:
N-(2-morpholinoethyl)-4-oxo-chromene-2-carboxamide
SMILES [?]:
c1ccc2c(c1)c(=O)cc(o2)C(=O)NCCN3CCOCC3
InChi [?]:
InChI=1/C16H18N2O4/c19-13-11-15(22-14-4-2-1-3-12(13)14)16(20)17-5-6-18-7-9-21-10-8-18/h1-4,11H,5-10H2,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,16,18,22,19,21,9,5,7,4,10,12,14,17,8,13,20,11/E:(7,8)(9,10)/rA:22nCCCCCCCOCCOCONCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s14;s15;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.67901
Area:511.001
Solvation:-4.09602
Coulombic:-52.2268
Bond Count [?]
All:24
Single:18
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.325
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.55
LogP (Chemaxon):0.47

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Descriptor Annotations

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