Chemical ID: 4557910

CC1(Cc2c(cc3c(n2)n(cnc3=O)Cc4ccccc4)CO1)C
Chemical ID:
4557910
Name [?]:
None
SMILES [?]:
CC1(Cc2c(cc3c(n2)n(cnc3=O)Cc4ccccc4)CO1)C
InChi [?]:
InChI=1/C19H19N3O2/c1-19(2)9-16-14(11-24-19)8-15-17(21-16)22(12-20-18(15)23)10-13-6-4-3-5-7-13/h3-8,12H,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,19,18,20,17,21,6,3,15,22,11,16,5,7,4,8,13,2,12,9,10,14,23/E:(1,2)(4,5)(6,7)/rA:24nCCCCCCCCNNCNCOCCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s7s12;d13;s10;s15;s16;d17;s18;d19;d16s20;s5;s2s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.96209
Area:499.377
Solvation:-3.52233
Coulombic:-36.3969
Bond Count [?]
All:27
Single:19
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:321.373
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.35
LogP (Chemaxon):2.83

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Descriptor Annotations

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