Chemical ID: 7011905

CCCCn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)NCCOC
Chemical ID:
7011905
Name [?]:
None
SMILES [?]:
CCCCn1c(=N)c(cc2c1nc3ccccn3c2=O)C(=O)NCCOC
InChi [?]:
InChI=1/C19H23N5O3/c1-3-4-9-24-16(20)13(18(25)21-8-11-27-2)12-14-17(24)22-15-7-5-6-10-23(15)19(14)26/h5-7,10,12,20H,3-4,8-9,11H2,1-2H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,27,2,3,15,16,14,24,4,17,25,9,8,10,13,6,11,21,19,7,23,12,18,5,22,20,26/rA:27nCCCCNCNCCCCNCCCCCNCOCONCCOC/rB:s1;s2;s3;s4;s5;w6;s6;d8;s9;s5d10;s11;d12;s13;d14;s15;d16;s13s17;s10s18;d19;s8;d21;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N5O3
All Atoms:50
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.6617
Area:594.186
Solvation:-4.19293
Coulombic:-69.7803
Bond Count [?]
All:29
Single:21
Double:8
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:369.418
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.04
LogP (Chemaxon):2.16

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