Chemical ID: 5277203

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC(C)C)c3ccc(c(c3)Cl)Cl
Chemical ID:
5277203
Name [?]:
5-(3,4-dichlorophenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC(C)C)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C26H30Cl2N2O4/c1-5-29(6-2)13-14-30-23(18-9-12-20(27)21(28)15-18)22(25(32)26(30)33)24(31)17-7-10-19(11-8-17)34-16(3)4/h7-12,15-16,23,32H,5-6,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,25,26,2,4,18,22,28,19,21,29,6,7,32,24,17,27,20,30,31,10,9,15,11,12,34,33,3,8,16,14,13,23/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:34cCCNCCCCNCCCCOOCOCCCCCCOCCCCCCCCCClCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s24;s24;s9;s27;d28;s29;d30;d27s31;s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30Cl2N2O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.4102
Area:751.144
Solvation:-5.36842
Coulombic:-56.8051
Bond Count [?]
All:36
Single:27
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:505.433
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.94
LogP (Chemaxon):1.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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