Chemical ID: 6615196

C=CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)Cc4ccco4)O
Chemical ID:
6615196
Name [?]:
4-(4-allyloxybenzoyl)-5-(3,4-dichlorophenyl)-1-(2-furylmethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
C=CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)Cc4ccco4)O
InChi [?]:
InChI=1/C25H19Cl2NO5/c1-2-11-32-17-8-5-15(6-9-17)23(29)21-22(16-7-10-19(26)20(27)13-16)28(25(31)24(21)30)14-18-4-3-12-33-18/h2-10,12-13,22,30H,1,11,14H2
InChi Info:
AuxInfo=1/0/N:1,2,30,29,7,9,20,6,10,21,3,31,24,27,8,19,5,28,22,23,13,18,11,14,15,26,25,17,12,33,16,4,32/E:(5,6)(8,9)/rA:33cCCCOCCCCCCCOCCCONCCCCCCCClClCCCCCOO/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s22;s17;s27;d28;s29;d30;s28s31;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H19Cl2NO5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.0543
Area:711.394
Solvation:-6.73051
Coulombic:-58.9994
Bond Count [?]
All:36
Single:24
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:484.328
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.38
LogP (Chemaxon):4.47

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Descriptor Annotations

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