Chemical ID: 4636160

c1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCCN4CCOCC4)O)Cl
Chemical ID:
4636160
Name [?]:
4-(4-chlorobenzoyl)-5-(3,4-dichlorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-pyrrol-2-one
SMILES [?]:
c1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCCN4CCOCC4)O)Cl
InChi [?]:
InChI=1/C24H23Cl3N2O4/c25-17-5-2-15(3-6-17)22(30)20-21(16-4-7-18(26)19(27)14-16)29(24(32)23(20)31)9-1-8-28-10-12-33-13-11-28/h2-7,14,21,31H,1,8-13H2
InChi Info:
AuxInfo=1/0/N:24,1,5,16,2,4,17,25,23,27,31,28,30,20,6,15,3,18,19,9,14,7,10,11,33,22,21,26,13,8,32,12,29/E:(2,3)(5,6)(10,11)(12,13)/rA:33cCCCCCCCOCCCONCCCCCCCClClCCCNCCOCCOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;d9;s10;d11;s11;s9s13;s14;s15;d16;s17;d18;d15s19;s19;s18;s13;s23;s24;s25;s26;s27;s28;s29;s26s30;s10;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23Cl3N2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.692
Area:742.229
Solvation:-5.86376
Coulombic:-57.3811
Bond Count [?]
All:36
Single:27
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:509.809
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.88
LogP (Chemaxon):1.13

Name Annotations

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Descriptor Annotations

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