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Chemical ID: 5291343
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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