ChemDB: Chemical Search
Download
Chemical ID: 7015436
Chemical ID:
7015436
Name [?]:
5-(4-butoxy-3-methoxy-phenyl)-1-(2-dimethylaminoethyl)-4-(3-ethoxybenzoyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3cccc(c3)OCC
InChi [?]:
InChI=1/C28H36N2O6/c1-6-8-16-36-22-13-12-19(18-23(22)34-5)25-24(27(32)28(33)30(25)15-14-29(3)4)26(31)20-10-9-11-21(17-20)35-7-2/h9-13,17-18,25,32H,6-8,14-16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,36,23,24,13,2,35,3,30,29,31,8,7,21,20,4,33,10,9,28,32,6,11,15,14,26,16,17,22,19,27,25,18,12,34,5/E:(3,4)/rA:36cCCCCOCCCCCCOCCCCCONCCNCCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;d15;s16;d17;s14s17;s19;s20;s21;s22;s22;s16;s15;d26;s26;s28;d29;s30;d31;d28s32;s32;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H36N2O6 |
All Atoms: | 72 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.702 |
Area: | 786.048 |
Solvation: | -8.94921 |
Coulombic: | -69.1706 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 496.595 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 4.3 |
LogP (Chemaxon): | 0.48 |
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 |
---|