ChemDB: Chemical Search
Download
Chemical ID: 7023654
Chemical ID:
7023654
Name [?]:
4-(4-chlorobenzoyl)-1-(2-diethylaminoethyl)-3-hydroxy-5-(3-methoxy-4-pentoxy-phenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C29H37ClN2O5/c1-5-8-9-18-37-23-15-12-21(19-24(23)36-4)26-25(27(33)20-10-13-22(30)14-11-20)28(34)29(35)32(26)17-16-31(6-2)7-3/h10-15,19,26,34H,5-9,16-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,27,14,2,24,26,3,4,32,36,9,33,35,8,22,21,5,11,31,10,34,7,12,16,15,29,17,18,37,23,20,30,28,19,13,6/E:(2,3)(6,7)(10,11)(13,14)/rA:37cCCCCCOCCCCCCOCCCCCONCCNCCCCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;d16;s17;d18;s15s18;s20;s21;s22;s23;s24;s23;s26;s17;s16;d29;s29;s31;d32;s33;d34;d31s35;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H37ClN2O5 |
All Atoms: | 74 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.0417 |
Area: | 829.787 |
Solvation: | -7.70292 |
Coulombic: | -63.482 |
Bond Count [?]
All: | 39 |
Single: | 30 |
Double: | 9 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 529.067 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 6.0 |
LogP (Chemaxon): | 1.89 |
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 |
---|