Chemical ID: 5629590

COc1ccc2c(c1)cc(c(=Nc3ccccc3C(=O)N)o2)C(=O)N
Chemical ID:
5629590
Name [?]:
2-(2-carbamoylphenyl)imino-6-methoxy-chromene-3-carboxamide
SMILES [?]:
COc1ccc2c(c1)cc(c(=Nc3ccccc3C(=O)N)o2)C(=O)N
InChi [?]:
InChI=1/C18H15N3O4/c1-24-11-6-7-15-10(8-11)9-13(17(20)23)18(25-15)21-14-5-3-2-4-12(14)16(19)22/h2-9H,1H3,(H2,19,22)(H2,20,23)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,4,5,8,9,7,3,18,10,13,6,19,23,11,21,25,12,20,24,2,22/rA:25nCOCCCCCCCCCNCCCCCCCONOCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s6s11;s10;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.88208
Area:486.967
Solvation:-5.29209
Coulombic:-71.9969
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:337.33
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:1.04
LogP (Chemaxon):1.69

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