Chemical ID: 4109176

COc1cccc(c1)C=NNC(=O)c2c3c([nH]n2)-c4ccccc4CC3
Chemical ID:
4109176
Name [?]:
None
SMILES [?]:
COc1cccc(c1)C=NNC(=O)c2c3c([nH]n2)-c4ccccc4CC3
InChi [?]:
InChI=1/C20H18N4O2/c1-26-15-7-4-5-13(11-15)12-21-24-20(25)19-17-10-9-14-6-2-3-8-16(14)18(17)22-23-19/h2-8,11-12H,9-10H2,1H3,(H,22,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,22,21,5,6,23,4,20,25,26,8,9,7,24,3,19,15,16,14,12,10,17,18,11,13,2/rA:26nCOCCCCCCCNNCOCCCNNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;s14;d15;s16;d14s17;s16;s19;d20;s21;d22;d19s23;s24;s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N4O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.61015
Area:551.292
Solvation:-4.17215
Coulombic:-38.6979
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:346.383
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.58
LogP (Chemaxon):3.6

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