Chemical ID: 4562335

COc1ccc2c(c1)c3c([nH]2)c(ncn3)NCc4ccccc4OC
Chemical ID:
4562335
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)c3c([nH]2)c(ncn3)NCc4ccccc4OC
InChi [?]:
InChI=1/C19H18N4O2/c1-24-13-7-8-15-14(9-13)17-18(23-15)19(22-11-21-17)20-10-12-5-3-4-6-16(12)25-2/h3-9,11,23H,10H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,20,21,19,22,4,5,8,17,14,18,3,7,6,23,9,10,12,16,15,13,11,2,24/rA:25nCOCCCCCCCCNCNCNNCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6s10;d10;s12;d13;d9s14;s12;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N4O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.05193
Area:546.236
Solvation:-4.60395
Coulombic:-49.3713
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:334.372
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.24
LogP (Chemaxon):3.65

Name Annotations

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Descriptor Annotations

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