ChemDB: Chemical Search
Download
Chemical ID: 5697174
Chemical ID:
5697174
Name [?]:
None
SMILES [?]:
COc1cc(cc(c1OC)OC)C2C3=C(CC(CC3=Nc4ccccc4N2C(=O)CCC(=O)O)c5ccccc5)O
InChi [?]:
InChI=1/C32H32N2O7/c1-39-26-17-21(18-27(40-2)32(26)41-3)31-30-23(15-20(16-25(30)35)19-9-5-4-6-10-19)33-22-11-7-8-12-24(22)34(31)28(36)13-14-29(37)38/h4-12,17-18,20,31,35H,13-16H2,1-3H3,(H,37,38)
InChi Info:
AuxInfo=1/1/N:1,12,10,38,37,39,23,24,36,40,22,25,30,31,18,16,4,6,35,17,5,21,19,26,15,3,7,28,32,14,13,8,20,27,41,29,33,34,2,11,9/E:(1,2)(5,6)(9,10)(17,18)(26,27)(37,38)(39,40)/rA:41cCOCCCCCCOCOCCCCCCCCNCCCCCCNCOCCCOOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;s13;d14;s15;s16;s17;s14s18;d19;s20;s21;d22;s23;d24;d21s25;s13s26;s27;d28;s28;s30;s31;d32;s32;s17;s35;d36;s37;d38;d35s39;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H32N2O7 |
All Atoms: | 41 |
Heavy Atoms: | 41 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.1141 |
Area: | 755.083 |
Solvation: | -8.76302 |
Coulombic: | -84.8106 |
Bond Count [?]
All: | 45 |
Single: | 32 |
Double: | 13 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 556.606 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 2.47 |
LogP (Chemaxon): | 3.5 |
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 |
---|