ChemDB: Chemical Search
Download
Chemical ID: 6612935
Chemical ID:
6612935
Name [?]:
4-(4-allyloxy-2-methyl-benzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCCN(C)C)O)OCC=C
InChi [?]:
InChI=1/C27H32N2O5/c1-6-16-34-21-12-13-22(18(2)17-21)25(30)23-24(19-8-10-20(33-5)11-9-19)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:34,1,28,29,23,33,25,17,21,18,20,5,6,26,24,32,3,2,16,19,4,7,10,15,8,11,12,27,14,9,30,13,22,31/E:(3,4)(8,9)(10,11)/rA:34cCCCCCCCCOCCCONCCCCCCCOCCCCNCCOOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s14;s24;s25;s26;s27;s27;s11;s4;s31;s32;d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H32N2O5 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7376 |
Area: | 708.18 |
Solvation: | -6.96693 |
Coulombic: | -63.599 |
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: | 4.29 |
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 |
---|