Chemical ID: 6431989

CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)Cc4ccco4)O
Chemical ID:
6431989
Name [?]:
5-(3,4-dichlorophenyl)-4-(4-ethoxybenzoyl)-1-(2-furylmethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)Cc4ccco4)O
InChi [?]:
InChI=1/C24H19Cl2NO5/c1-2-31-16-8-5-14(6-9-16)22(28)20-21(15-7-10-18(25)19(26)12-15)27(24(30)23(20)29)13-17-4-3-11-32-17/h3-12,21,29H,2,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,29,28,6,8,19,5,9,20,30,23,26,7,18,4,27,21,22,12,17,10,13,14,25,24,16,11,32,15,3,31/E:(5,6)(8,9)/rA:32cCCOCCCCCCCOCCCONCCCCCCCClClCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s21;s16;s26;d27;s28;d29;s27s30;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19Cl2NO5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.5498
Area:689.622
Solvation:-6.69071
Coulombic:-57.3098
Bond Count [?]
All:35
Single:24
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:472.317
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.19
LogP (Chemaxon):4.08

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