Chemical ID: 5810217

CCC(C)(C#C)NC(=O)c1cc2cccc(c2oc1=O)OC
Chemical ID:
5810217
Name [?]:
N-(1-ethyl-1-methyl-prop-2-ynyl)-8-methoxy-2-oxo-chromene-3-carboxamide
SMILES [?]:
CCC(C)(C#C)NC(=O)c1cc2cccc(c2oc1=O)OC
InChi [?]:
InChI=1/C17H17NO4/c1-5-17(3,6-2)18-15(19)12-10-11-8-7-9-13(21-4)14(11)22-16(12)20/h1,7-10H,6H2,2-4H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:6,1,4,22,5,2,14,13,15,11,12,10,16,17,8,19,3,7,9,20,21,18/rA:22cCCCCCCNCOCCCCCCCCOCOOC/rB:s1;s2;s3;s3;t5;s3;s7;d8;s8;d10;s11;s12;d13;s14;d15;d12s16;s17;s10s18;d19;s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:6.43725
Area:495.768
Solvation:-5.95696
Coulombic:-48.3057
Bond Count [?]
All:23
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:299.321
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.27
LogP (Chemaxon):1.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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