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Chemical ID: 5629590
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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