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Chemical ID: 5629587
Chemical ID:
5629587
Name [?]:
2-(2-carbamoylphenyl)iminochromene-3-carboxamide
SMILES [?]:
c1ccc2c(c1)cc(c(=Nc3ccccc3C(=O)N)o2)C(=O)N
InChi [?]:
InChI=1/C17H13N3O3/c18-15(21)11-6-2-3-7-13(11)20-17-12(16(19)22)9-10-5-1-4-8-14(10)23-17/h1-9H,(H2,18,21)(H2,19,22)
InChi Info:
AuxInfo=1/1/N:1,14,13,2,6,15,12,3,7,5,16,8,11,4,17,21,9,19,23,10,18,22,20/rA:23nCCCCCCCCCNCCCCCCCONOCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;w9;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;s4s9;s8;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13N3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.14685 |
Area: | 447.892 |
Solvation: | -4.05044 |
Coulombic: | -66.0108 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 307.304 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 1.12 |
LogP (Chemaxon): | 1.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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