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Chemical ID: 5277203
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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