Chemical ID: 7390997

CCCCn1c(=O)c2c(nc3n2CCN3c4cccc(c4)Cl)n(c1=O)C
Chemical ID:
7390997
Name [?]:
None
SMILES [?]:
CCCCn1c(=O)c2c(nc3n2CCN3c4cccc(c4)Cl)n(c1=O)C
InChi [?]:
InChI=1/C18H20ClN5O2/c1-3-4-8-24-16(25)14-15(21(2)18(24)26)20-17-22(9-10-23(14)17)13-7-5-6-12(19)11-13/h5-7,11H,3-4,8-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,3,18,19,17,4,14,13,21,20,16,8,9,6,11,24,22,10,23,15,12,5,7,25/rA:26nCCCCNCOCCNCNCCNCCCCCCClNCOC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;s11s14;s15;s16;d17;s18;d19;d16s20;s20;s9;s5s23;d24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClN5O2
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.92
Area:570.508
Solvation:-2.34271
Coulombic:-56.9125
Bond Count [?]
All:29
Single:22
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:373.837
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.65
LogP (Chemaxon):4.37

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