Chemical ID: 4571255

COC(=O)C1Cc2c3ccccc3[nH]c2C(N1)c4cccc(c4)F
Chemical ID:
4571255
Name [?]:
None
SMILES [?]:
COC(=O)C1Cc2c3ccccc3[nH]c2C(N1)c4cccc(c4)F
InChi [?]:
InChI=1/C19H17FN2O2/c1-24-19(23)16-10-14-13-7-2-3-8-15(13)21-18(14)17(22-16)11-5-4-6-12(20)9-11/h2-9,16-17,21-22H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,20,19,21,9,12,23,6,18,22,8,7,13,5,16,15,3,24,14,17,4,2/rA:24cCOCOCCCCCCCCCNCCNCCCCCCF/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d7s14;s15;s5s16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17FN2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:8.93946
Area:506.92
Solvation:-3.73354
Coulombic:-44.0659
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:324.349
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.0
LogP (Chemaxon):3.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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