Chemical ID: 7441536

c1ccc(cc1)CN2C(C(=C(c3ccc4c(c3)OCCO4)O)C(=O)C2=O)c5ccc(c(c5)Cl)Cl
Chemical ID:
7441536
Name [?]:
1-benzyl-5-(3,4-dichlorophenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-pyrrolidine-2,3-dione
SMILES [?]:
c1ccc(cc1)CN2C(C(=C(c3ccc4c(c3)OCCO4)O)C(=O)C2=O)c5ccc(c(c5)Cl)Cl
InChi [?]:
InChI=1/C26H19Cl2NO5/c27-18-8-6-16(12-19(18)28)23-22(24(30)17-7-9-20-21(13-17)34-11-10-33-20)25(31)26(32)29(23)14-15-4-2-1-3-5-15/h1-9,12-13,23,30H,10-11,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,28,13,29,14,20,19,32,17,7,4,27,12,30,31,15,16,10,9,11,23,25,34,33,8,22,24,26,21,18/E:(2,3)(4,5)/rA:34cCCCCCCCNCCCCCCCCCOCCOOCOCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s19;s15s20;s11;s10;d23;s8s23;d25;s9;s27;d28;s29;d30;d27s31;s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H19Cl2NO5
All Atoms:53
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.74391
Area:610.39
Solvation:-5.51584
Coulombic:-62.2545
Bond Count [?]
All:38
Single:26
Double:12
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:496.338
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.13
LogP (Chemaxon):3.9

Name Annotations

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Descriptor Annotations

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