Chemical ID: 7464482

CCOc1ccc(cc1)c2c3c([nH]n2)C(=O)NC3c4ccc(cc4)F
Chemical ID:
7464482
Name [?]:
8-(4-ethoxyphenyl)-2-(4-fluorophenyl)-3,6,7-triazabicyclo[3.3.0]octa-7,9-dien-4-one
SMILES [?]:
CCOc1ccc(cc1)c2c3c([nH]n2)C(=O)NC3c4ccc(cc4)F
InChi [?]:
InChI=1/C19H16FN3O2/c1-2-25-14-9-5-12(6-10-14)17-15-16(11-3-7-13(20)8-4-11)21-19(24)18(15)23-22-17/h3-10,16H,2H2,1H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,20,24,6,8,21,23,5,9,19,7,22,4,11,18,10,12,15,25,17,14,13,16,3/E:(3,4)(5,6)(7,8)(9,10)/rA:25cCCOCCCCCCCCCNNCONCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d10s13;s12;d15;s15;s11s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16FN3O2
All Atoms:41
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:8.0806
Area:510.725
Solvation:-4.68753
Coulombic:-44.0687
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.75
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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