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Chemical ID: 6171215
Chemical ID:
6171215
Name [?]:
N-(3-chlorophenyl)-N'-[[4-[(4-fluorophenyl)methoxy]phenyl]methyleneamino]oxamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)F
InChi [?]:
InChI=1/C22H17ClFN3O3/c23-17-2-1-3-19(12-17)26-21(28)22(29)27-25-13-15-6-10-20(11-7-15)30-14-16-4-8-18(24)9-5-16/h1-13H,14H2,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,6,2,25,29,17,21,26,28,18,20,4,15,23,16,24,5,27,3,19,9,11,7,30,14,8,13,10,12,22/E:(4,5)(6,7)(8,9)(10,11)/rA:30nCCCCCCClNCOCONNCCCCCCCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17ClFN3O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.364 |
Area: | 661.576 |
Solvation: | -5.17544 |
Coulombic: | -57.1129 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 425.84 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.43 |
LogP (Chemaxon): | 5.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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