Chemical ID: 7079857

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCN(C)C)c4ccccc4F
Chemical ID:
7079857
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCN(C)C)c4ccccc4F
InChi [?]:
InChI=1/C23H23FN2O3/c1-13-11-16-18(12-14(13)2)29-22-19(21(16)27)20(15-7-5-6-8-17(15)24)26(23(22)28)10-9-25(3)4/h5-8,11-12,20H,9-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,21,22,25,26,24,27,19,18,3,6,2,7,23,4,28,5,11,14,12,10,16,29,20,15,13,17,9/E:(3,4)/rA:29cCCCCCCCCOCCCOCNCOCCNCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;s20;s14;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23FN2O3
All Atoms:52
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.6587
Area:593.623
Solvation:-4.18192
Coulombic:-43.9179
Bond Count [?]
All:32
Single:23
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:394.439
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.31
LogP (Chemaxon):3.71

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Descriptor Annotations

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