Chemical ID: 4564890

CCc1c(n(c2n1c3c(n2)n(c(=O)n(c3=O)C)C)CCCO)c4ccccc4
Chemical ID:
4564890
Name [?]:
None
SMILES [?]:
CCc1c(n(c2n1c3c(n2)n(c(=O)n(c3=O)C)C)CCCO)c4ccccc4
InChi [?]:
InChI=1/C20H23N5O3/c1-4-14-15(13-9-6-5-7-10-13)24(11-8-12-26)19-21-17-16(25(14)19)18(27)23(3)20(28)22(17)2/h5-7,9-10,26H,4,8,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,17,2,26,25,27,20,24,28,19,21,23,3,4,8,9,15,6,12,10,11,14,5,7,22,16,13/E:(6,7)(9,10)/rA:28nCCCCNCNCCNNCONCOCCCCCOCCCCCC/rB:s1;s2;d3;s4;s5;s3s6;s7;d8;d6s9;s9;s11;d12;s12;s8s14;d15;s14;s11;s5;s19;s20;s21;s4;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N5O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0155
Area:582.084
Solvation:-3.53661
Coulombic:-72.6114
Bond Count [?]
All:31
Single:23
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.429
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.48
LogP (Chemaxon):2.55

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Descriptor Annotations

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