Chemical ID: 5291343

CC1CCN(CC1)C(=O)c2cc3c(nc4ccccn4c3=O)n(c2=N)C5CCCCC5
Chemical ID:
5291343
Name [?]:
None
SMILES [?]:
CC1CCN(CC1)C(=O)c2cc3c(nc4ccccn4c3=O)n(c2=N)C5CCCCC5
InChi [?]:
InChI=1/C24H29N5O2/c1-16-10-13-27(14-11-16)23(30)18-15-19-22(26-20-9-5-6-12-28(20)24(19)31)29(21(18)25)17-7-3-2-4-8-17/h5-6,9,12,15-17,25H,2-4,7-8,10-11,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,17,18,27,31,16,3,7,19,4,6,11,2,26,10,12,15,24,13,8,21,25,14,5,20,23,9,22/E:(3,4)(7,8)(10,11)(13,14)/rA:31nCCCCNCCCOCCCCNCCCCCNCONCNCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;d10;s11;d12;s13;d14;s15;d16;s17;d18;s15s19;s12s20;d21;s13;s10s23;w24;s23;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N5O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.7542
Area:613.157
Solvation:-2.57475
Coulombic:-58.3574
Bond Count [?]
All:35
Single:27
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:419.52
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.22
LogP (Chemaxon):4.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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