ChemDB: Chemical Search
Download
Chemical ID: 7015454
Chemical ID:
7015454
Name [?]:
5-(3,4-dichlorophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCN(C)C)O
InChi [?]:
InChI=1/C24H26Cl2N2O4/c1-4-12-32-17-7-5-6-16(13-17)22(29)20-21(15-8-9-18(25)19(26)14-15)28(11-10-27(2)3)24(31)23(20)30/h5-9,13-14,21,30H,4,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,31,2,7,8,6,20,21,28,27,3,10,24,19,9,5,22,23,13,18,11,14,15,26,25,29,17,12,32,16,4/E:(2,3)/rA:32cCCCOCCCCCCCOCCCONCCCCCCCClClCCNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s22;s17;s27;s28;s29;s29;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26Cl2N2O4 |
All Atoms: | 58 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.5864 |
Area: | 726.192 |
Solvation: | -5.56836 |
Coulombic: | -56.5542 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 477.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.99 |
LogP (Chemaxon): | 1.2 |
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 |
---|