Chemical ID: 6437626

CC(=CCn1c(=O)c2c(nc3n2CCN3c4ccc(cc4)OC)n(c1=O)C)Cl
Chemical ID:
6437626
Name [?]:
None
SMILES [?]:
CC(=CCn1c(=O)c2c(nc3n2CCN3c4ccc(cc4)OC)n(c1=O)C)Cl
InChi [?]:
InChI=1/C19H20ClN5O3/c1-12(20)8-9-25-17(26)15-16(22(2)19(25)27)21-18-23(10-11-24(15)18)13-4-6-14(28-3)7-5-13/h4-8H,9-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,23,17,21,18,20,3,4,14,13,2,16,19,8,9,6,11,25,28,10,24,15,12,5,7,26,22/E:(4,5)(6,7)/rA:28nCCCCNCOCCNCNCCNCCCCCCOCNCOCCl/rB:s1;w2;s3;s4;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;s11s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s9;s5s24;d25;s24;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20ClN5O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0234
Area:594.608
Solvation:-3.84176
Coulombic:-62.849
Bond Count [?]
All:31
Single:23
Double:8
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:401.847
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.77
LogP (Chemaxon):3.04

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Descriptor Annotations

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