Chemical ID: 6762688

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCOC)c4ccccc4F
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

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Descriptor Annotations

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