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Chemical ID: 7513953
Chemical ID:
7513953
Name [?]:
5-(3-chlorophenyl)-N-[4-(2-furylcarbonylamino)phenyl]-furan-2-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)c2ccc(o2)C(=O)Nc3ccc(cc3)NC(=O)c4ccco4
InChi [?]:
InChI=1/C22H15ClN2O4/c23-15-4-1-3-14(13-15)18-10-11-20(29-18)22(27)25-17-8-6-16(7-9-17)24-21(26)19-5-2-12-28-19/h1-13H,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,27,2,6,26,18,20,17,21,9,10,28,4,3,5,19,16,8,25,11,23,13,7,22,15,24,14,29,12/E:(6,7)(8,9)/rA:29nCCCCCCClCCCCOCONCCCCCCNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;d10;s8s11;s11;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15ClN2O4 |
All Atoms: | 44 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.3515 |
Area: | 642.979 |
Solvation: | -3.723 |
Coulombic: | -61.7727 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.52 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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