Chemical ID: 5762533

c1ccc(cc1)c2c3c(n[nH]2)OC(=C(C3c4cccnc4)C#N)N
Chemical ID:
5762533
Name [?]:
4-amino-9-phenyl-2-(3-pyridyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,6,9-triene-3-carbonitrile
SMILES [?]:
c1ccc(cc1)c2c3c(n[nH]2)OC(=C(C3c4cccnc4)C#N)N
InChi [?]:
InChI=1/C18H13N5O/c19-9-13-14(12-7-4-8-21-10-12)15-16(11-5-2-1-3-6-11)22-23-18(15)24-17(13)20/h1-8,10,14H,20H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,3,5,17,19,22,21,4,16,14,15,8,7,13,9,23,24,20,11,10,12/E:(2,3)(5,6)/rA:24cCCCCCCCCCNNOCCCCCCCNCCNN/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s9;s12;d13;s8s14;s15;s16;d17;s18;d19;d16s20;s14;t22;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13N5O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.03587
Area:467.977
Solvation:-3.66354
Coulombic:-42.8794
Bond Count [?]
All:27
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:315.329
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.01
LogP (Chemaxon):2.4

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