Chemical ID: 7383480

Cc1ccccc1N2CCn3c2nc4c3c(=O)n(c(=O)n4C)CC=C
Chemical ID:
7383480
Name [?]:
None
SMILES [?]:
Cc1ccccc1N2CCn3c2nc4c3c(=O)n(c(=O)n4C)CC=C
InChi [?]:
InChI=1/C18H19N5O2/c1-4-9-23-16(24)14-15(20(3)18(23)25)19-17-21(10-11-22(14)17)13-8-6-5-7-12(13)2/h4-8H,1,9-11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:25,1,22,24,4,5,3,6,23,9,10,2,7,15,14,16,12,19,13,21,8,11,18,17,20/rA:25nCCCCCCCNCCNCNCCCONCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s8s11;d12;s13;s11d14;s15;d16;s16;s18;d19;s14s19;s21;s18;s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N5O2
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.7769
Area:528.748
Solvation:-2.44176
Coulombic:-57.4354
Bond Count [?]
All:28
Single:20
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:337.376
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.52
LogP (Chemaxon):3.85

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Descriptor Annotations

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