ChemDB: Chemical Search
Download
Chemical ID: 4126324
Chemical ID:
4126324
Name [?]:
5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-1-(3-morpholinopropyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cc(ccc1O)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccc(cc4C)OC
InChi [?]:
InChI=1/C28H34N2O7/c1-4-37-23-17-19(6-9-22(23)31)25-24(26(32)21-8-7-20(35-3)16-18(21)2)27(33)28(34)30(25)11-5-10-29-12-14-36-15-13-29/h6-9,16-17,25,31,33H,4-5,10-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,35,37,2,18,7,31,30,8,19,17,21,25,22,24,33,5,34,6,32,29,9,4,12,11,27,13,14,20,16,10,28,26,15,36,23,3/E:(12,13)(14,15)/rA:37cCCOCCCCCCOCCCCONCCCNCCOCCOCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s21;s22;s23;s20s24;s13;s12;d27;s27;s29;d30;s31;d32;d29s33;s34;s32;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H34N2O7 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.94133 |
Area: | 753.525 |
Solvation: | -8.8968 |
Coulombic: | -85.9331 |
Bond Count [?]
All: | 40 |
Single: | 31 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 510.579 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 9 |
XLogP: | 3.29 |
LogP (Chemaxon): | 0.1 |
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 |
---|