ChemDB: Chemical Search
Download
Chemical ID: 5186285
Chemical ID:
5186285
Name [?]:
diethyl 8-benzyl-9-isopropyl-4-oxo-8,10-diazabicyclo[5.3.0]deca-2,5,9,11-tetraene-3,5-dicarboxylate
SMILES [?]:
CCOC(=O)c1cc2c(cc(c1=O)C(=O)OCC)n(c(n2)C(C)C)Cc3ccccc3
InChi [?]:
InChI=1/C24H26N2O5/c1-5-30-23(28)17-12-19-20(13-18(21(17)27)24(29)31-6-2)26(22(25-19)15(3)4)14-16-10-8-7-9-11-16/h7-13,15H,5-6,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,23,24,2,17,29,28,30,27,31,7,10,25,22,26,6,11,8,9,12,20,4,14,21,19,13,5,15,3,16/E:(3,4)(8,9)(10,11)/rA:31nCCOCOCCCCCCCOCOOCCNCNCCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;d10;s6s11;d12;s11;d14;s14;s16;s17;s9;s19;s8d20;s20;s22;s22;s19;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26N2O5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0343 |
Area: | 647.946 |
Solvation: | -5.16437 |
Coulombic: | -57.1276 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 422.474 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.72 |
LogP (Chemaxon): | 4.37 |
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 |
---|