Chemical ID: 6110298

CCn1c2c(c(n1)C)NC(=O)CN=C2c3ccccc3
Chemical ID:
6110298
Name [?]:
10-ethyl-8-methyl-2-phenyl-3,6,9,10-tetrazabicyclo[5.3.0]deca-2,8,11-trien-5-one
SMILES [?]:
CCn1c2c(c(n1)C)NC(=O)CN=C2c3ccccc3
InChi [?]:
InChI=1/C15H16N4O/c1-3-19-15-13(10(2)18-19)17-12(20)9-16-14(15)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,8,2,18,17,19,16,20,12,6,15,10,5,14,4,13,9,7,3,11/E:(5,6)(7,8)/rA:20nCCNCCCNCNCOCNCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;s9;d10;s10;s12;s4d13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N4O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.02507
Area:434.845
Solvation:-2.84605
Coulombic:-32.3479
Bond Count [?]
All:22
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.314
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.63
LogP (Chemaxon):0.62

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Descriptor Annotations

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