ChemDB: Chemical Search
Download
Chemical ID: 7080153
Chemical ID:
7080153
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4cccc(c4)OCC=C
InChi [?]:
InChI=1/C25H25ClN2O4/c1-4-13-31-18-8-5-7-16(14-18)22-21-23(29)19-15-17(26)9-10-20(19)32-24(21)25(30)28(22)12-6-11-27(2)3/h4-5,7-10,14-15,22H,1,6,11-13H2,2-3H3
InChi Info:
AuxInfo=1/0/N:32,1,3,31,25,5,24,26,15,16,4,6,30,28,13,23,14,27,12,17,9,8,10,19,20,22,2,7,11,21,29,18/E:(2,3)/rA:32cCNCCCCNCCCOCCCCCCOCCOClCCCCCCOCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s14;s8;s23;d24;s25;d26;d23s27;s27;s29;s30;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25ClN2O4 |
All Atoms: | 57 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5986 |
Area: | 702.501 |
Solvation: | -4.96395 |
Coulombic: | -48.9099 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 452.93 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.78 |
LogP (Chemaxon): | 3.69 |
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 |
---|