ChemDB: Chemical Search
Download
Chemical ID: 7385874
Chemical ID:
7385874
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)CCOC
InChi [?]:
InChI=1/C22H21NO6/c1-12-4-7-16-14(10-12)20(25)18-19(13-5-6-15(24)17(11-13)28-3)23(8-9-27-2)22(26)21(18)29-16/h4-7,10-11,19,24H,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,24,3,18,19,4,26,27,7,22,2,17,6,20,5,21,10,16,8,11,13,15,25,9,14,28,23,12/rA:29cCCCCCCCCOCCOCONCCCCCCCOCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s15;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H21NO6 |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.39545 |
Area: | 596.361 |
Solvation: | -6.51358 |
Coulombic: | -65.6973 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 395.405 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.18 |
LogP (Chemaxon): | 2.42 |
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 |
---|