Chemical ID: 4830349

COc1cc(ccc1O)C=NNC(=O)c2c3c([nH]n2)-c4ccccc4CC3
Chemical ID:
4830349
Name [?]:
None
SMILES [?]:
COc1cc(ccc1O)C=NNC(=O)c2c3c([nH]n2)-c4ccccc4CC3
InChi [?]:
InChI=1/C20H18N4O3/c1-27-17-10-12(6-9-16(17)25)11-21-24-20(26)19-15-8-7-13-4-2-3-5-14(13)18(15)22-23-19/h2-6,9-11,25H,7-8H2,1H3,(H,22,23)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,6,26,27,7,4,10,5,25,20,16,8,3,17,15,13,11,18,19,12,9,14,2/rA:27nCOCCCCCCOCNNCOCCCNNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;s15;d16;s17;d15s18;s17;s20;d21;s22;d23;d20s24;s25;s16s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N4O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.61396
Area:566.713
Solvation:-5.55386
Coulombic:-53.8479
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:362.382
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.18
LogP (Chemaxon):3.31

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