Chemical ID: 4834347

COc1ccc(cc1OC)C=NNC(=O)c2c3c([nH]n2)-c4ccccc4CC3
Chemical ID:
4834347
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)C=NNC(=O)c2c3c([nH]n2)-c4ccccc4CC3
InChi [?]:
InChI=1/C21H20N4O3/c1-27-17-10-7-13(11-18(17)28-2)12-22-25-21(26)20-16-9-8-14-5-3-4-6-15(14)19(16)23-24-20/h3-7,10-12H,8-9H2,1-2H3,(H,23,24)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,10,24,23,25,22,5,27,28,4,7,11,6,26,21,17,3,8,18,16,14,12,19,20,13,15,2,9/rA:28nCOCCCCCCOCCNNCOCCCNNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;s16;d17;s18;d16s19;s18;s21;d22;s23;d24;d21s25;s26;s17s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N4O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.21343
Area:585.957
Solvation:-6.4355
Coulombic:-44.6459
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:376.409
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.23
LogP (Chemaxon):3.34

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Descriptor Annotations

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