Chemical ID: 4801516

CCCN1C(=O)c2c(c(=O)c3cc(ccc3o2)F)C14c5ccccc5N(C4=O)C
Chemical ID:
4801516
Name [?]:
None
SMILES [?]:
CCCN1C(=O)c2c(c(=O)c3cc(ccc3o2)F)C14c5ccccc5N(C4=O)C
InChi [?]:
InChI=1/C22H17FN2O4/c1-3-10-25-20(27)19-17(18(26)13-11-12(23)8-9-16(13)29-19)22(25)14-6-4-5-7-15(14)24(2)21(22)28/h4-9,11H,3,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,22,23,21,24,14,15,3,12,13,11,20,25,16,8,9,7,5,27,19,18,26,4,10,6,28,17/rA:29cCCCNCOCCCOCCCCCCOFCCCCCCCNCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s9;s11;d12;s13;d14;d11s15;s7s16;s13;s4s8;s19;s20;d21;s22;d23;d20s24;s25;s19s26;d27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17FN2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.31182
Area:554.06
Solvation:-4.53968
Coulombic:-54.495
Bond Count [?]
All:33
Single:23
Double:10
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:392.38
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.48
LogP (Chemaxon):2.42

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Descriptor Annotations

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