ChemDB: Chemical Search
Download
Chemical ID: 4100797
Chemical ID:
4100797
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(oc2c1c3c(c4c2cccc4)OCN(C3)C(C)(C)C)C
InChi [?]:
InChI=1/C22H25NO4/c1-6-25-21(24)17-13(2)27-20-15-10-8-7-9-14(15)19-16(18(17)20)11-23(12-26-19)22(3,4)5/h7-10H,6,11-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,27,24,25,26,2,17,16,18,15,22,20,7,13,14,11,6,10,12,9,4,23,21,5,3,19,8/E:(3,4,5)/rA:27cCCOCOCCOCCCCCCCCCCOCNCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s12;s19;s20;s11s21;s21;s23;s23;s23;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25NO4 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1995 |
Area: | 545.14 |
Solvation: | -3.42901 |
Coulombic: | -40.1767 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 367.438 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.19 |
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 |
---|