Chemical ID: 4773860

C=CCCCN1c2ccccc2C(=NCC1=O)c3ccccc3
Chemical ID:
4773860
Name [?]:
2-pent-4-enyl-6-phenyl-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one
SMILES [?]:
C=CCCCN1c2ccccc2C(=NCC1=O)c3ccccc3
InChi [?]:
InChI=1/C20H20N2O/c1-2-3-9-14-22-18-13-8-7-12-17(18)20(21-15-19(22)23)16-10-5-4-6-11-16/h2,4-8,10-13H,1,3,9,14-15H2
InChi Info:
AuxInfo=1/0/N:1,2,3,21,20,22,10,9,4,19,23,11,8,5,15,18,12,7,16,13,14,6,17/E:(5,6)(10,11)/rA:23nCCCCCNCCCCCCCNCCOCCCCCC/rB:d1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s14;s6s15;d16;s13;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.5654
Area:516.373
Solvation:-2.3439
Coulombic:-26.8218
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.386
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.85
LogP (Chemaxon):3.88

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