ChemDB: Chemical Search
Download
Chemical ID: 6613905
Chemical ID:
6613905
Name [?]:
4-(4-allyloxy-3-methyl-benzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OCC=C)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCCN(C)C)O
InChi [?]:
InChI=1/C27H32N2O5/c1-6-16-34-22-13-10-20(17-18(22)2)25(30)23-24(19-8-11-21(33-5)12-9-19)29(27(32)26(23)31)15-7-14-28(3)4/h6,8-13,17,24,31H,1,7,14-16H2,2-5H3
InChi Info:
AuxInfo=1/0/N:11,1,32,33,27,10,29,21,25,5,22,24,6,30,28,9,3,2,20,4,23,7,14,19,12,15,16,31,18,13,34,17,26,8/E:(3,4)(8,9)(11,12)/rA:34cCCCCCCCOCCCCOCCCONCCCCCCCOCCCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s4;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s23;s26;s18;s28;s29;s30;s31;s31;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H32N2O5 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5988 |
Area: | 746.745 |
Solvation: | -7.06982 |
Coulombic: | -63.5995 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 464.553 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.08 |
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 |
---|