Chemical ID: 7265108

c1ccc2c(c1)cc(o2)C(=O)C=C3c4ccccc4N=CN3
Chemical ID:
7265108
Name [?]:
1-benzofuran-2-yl-2-(3H-quinazolin-4-ylidene)ethanone
SMILES [?]:
c1ccc2c(c1)cc(o2)C(=O)C=C3c4ccccc4N=CN3
InChi [?]:
InChI=1/C18H12N2O2/c21-16(18-9-12-5-1-4-8-17(12)22-18)10-15-13-6-2-3-7-14(13)19-11-20-15/h1-11H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,17,2,6,15,18,3,7,12,21,5,14,19,13,10,4,8,20,22,11,9/rA:22nCCCCCCCCOCOCCCCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;d20;s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12N2O2
All Atoms:34
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.29253
Area:478.377
Solvation:-2.66689
Coulombic:-34.7213
Bond Count [?]
All:25
Single:15
Double:10
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:288.3
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.52
LogP (Chemaxon):3.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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