ChemDB: Chemical Search
Download
Chemical ID: 5610684
Chemical ID:
5610684
Name [?]:
None
SMILES [?]:
CNC(=O)NC(=O)CN1C(=O)C2(CCc3c2cccc3)NC1=O
InChi [?]:
InChI=1/C15H16N4O4/c1-16-13(22)17-11(20)8-19-12(21)15(18-14(19)23)7-6-9-4-2-3-5-10(9)15/h2-5H,6-8H2,1H3,(H,18,23)(H2,16,17,20,22)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,14,13,8,15,16,6,10,3,22,12,2,5,21,9,7,11,4,23/rA:23cCNCONCOCNCOCCCCCCCCCNCO/rB:s1;s2;d3;s3;s5;d6;s6;s8;s9;d10;s10;s12;s13;s14;s12s15;d16;s17;d18;d15s19;s12;s9s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N4O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.13014 |
Area: | 499.103 |
Solvation: | -5.34743 |
Coulombic: | -80.7572 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.312 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 8 |
XLogP: | -0.04 |
LogP (Chemaxon): | -0.24 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|