ChemDB: Chemical Search
Download
Chemical ID: 7029590
Chemical ID:
7029590
Name [?]:
1-(2-dimethylaminoethyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5-(4-hydroxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(cc4)O
InChi [?]:
InChI=1/C23H24N2O6/c1-24(2)9-10-25-20(14-3-6-16(26)7-4-14)19(22(28)23(25)29)21(27)15-5-8-17-18(13-15)31-12-11-30-17/h3-8,13,20,26,28H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,26,30,16,27,29,17,4,5,23,22,20,25,15,28,18,19,8,7,13,9,10,2,6,31,14,12,11,24,21/E:(1,2)(3,4)(6,7)/rA:31cCNCCCNCCCCOOCOCCCCCCOCCOCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s22;s18s23;s7;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O6 |
All Atoms: | 55 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.30024 |
Area: | 644.455 |
Solvation: | -6.81113 |
Coulombic: | -79.1847 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 424.447 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.27 |
LogP (Chemaxon): | -1.3 |
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 |
---|