Chemical ID: 7396778

CCCn1c(=O)c2c(nc3n2CCN3c4cccc(c4C)Cl)n(c1=O)C
Chemical ID:
7396778
Name [?]:
None
SMILES [?]:
CCCn1c(=O)c2c(nc3n2CCN3c4cccc(c4C)Cl)n(c1=O)C
InChi [?]:
InChI=1/C18H20ClN5O2/c1-4-8-24-16(25)14-15(21(3)18(24)26)20-17-22(9-10-23(14)17)13-7-5-6-12(19)11(13)2/h5-7H,4,8-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,26,2,17,18,16,3,13,12,20,19,15,7,8,5,10,24,22,9,23,14,11,4,6,25/rA:26nCCCNCOCCNCNCCNCCCCCCCClNCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;s12;s10s13;s14;s15;d16;s17;d18;d15s19;s20;s19;s8;s4s23;d24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClN5O2
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.8027
Area:562.626
Solvation:-2.26291
Coulombic:-56.5985
Bond Count [?]
All:29
Single:22
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:373.837
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.31
LogP (Chemaxon):4.44

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Descriptor Annotations

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