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Chemical ID: 6762688
Chemical ID:
6762688
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCOC)c4ccccc4F
InChi [?]:
InChI=1/C22H20FNO4/c1-12-10-15-17(11-13(12)2)28-21-18(20(15)25)19(14-6-4-5-7-16(14)23)24(22(21)26)8-9-27-3/h4-7,10-11,19H,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,21,24,25,23,26,18,19,3,6,2,7,22,4,27,5,11,14,12,10,16,28,15,13,17,20,9/rA:28cCCCCCCCCOCCCOCNCOCCOCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;s14;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20FNO4 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.02664 |
Area: | 565.248 |
Solvation: | -5.10455 |
Coulombic: | -46.542 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 381.397 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.27 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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