ChemDB: Chemical Search
Download
Chemical ID: 7704638
Chemical ID:
7704638
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2C=NNC(=O)C(c4ccccc4)O
InChi [?]:
InChI=1/C27H22N2O5/c1-33-21-14-11-20(12-15-21)27(32)34-24-16-13-18-7-5-6-10-22(18)23(24)17-28-29-26(31)25(30)19-8-3-2-4-9-19/h2-17,25,30H,1H3,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,31,30,32,17,18,16,29,33,19,5,7,14,4,8,13,22,15,28,6,3,20,21,12,27,25,9,23,24,34,26,10,2,11/E:(3,4)(8,9)(11,12)(14,15)/rA:34cCOCCCCCCCOOCCCCCCCCCCCNNCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s21;w22;s23;s24;d25;s25;s27;s28;d29;s30;d31;d28s32;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H22N2O5 |
All Atoms: | 56 |
Heavy Atoms: | 34 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.403 |
Area: | 667.664 |
Solvation: | -6.2886 |
Coulombic: | -65.878 |
Bond Count [?]
All: | 37 |
Single: | 23 |
Double: | 14 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.5 |
LogP (Chemaxon): | None |
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 |
---|