Chemical ID: 7444459

Cc1c2ccc(=O)n(c2nc(n1)NCc3ccccc3)Cc4ccccc4
Chemical ID:
7444459
Name [?]:
5-benzyl-8-benzylamino-10-methyl-5,7,9-triazabicyclo[4.4.0]deca-2,7,9,11-tetraen-4-one
SMILES [?]:
Cc1c2ccc(=O)n(c2nc(n1)NCc3ccccc3)Cc4ccccc4
InChi [?]:
InChI=1/C22H20N4O/c1-16-19-12-13-20(27)26(15-18-10-6-3-7-11-18)21(19)25-22(24-16)23-14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,18,25,17,19,24,26,16,20,23,27,4,5,14,21,2,15,22,3,6,9,11,13,12,10,8,7/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCCCONCNCNNCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;d3s8;s9;d10;d2s11;s11;s13;s14;s15;d16;s17;d18;d15s19;s8;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N4O
All Atoms:47
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.6014
Area:570.492
Solvation:-2.66095
Coulombic:-43.3488
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:356.421
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.93
LogP (Chemaxon):4.46

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Descriptor Annotations

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