Chemical ID: 5662242

CC(C)c1ccc(cc1)C2C(=C(c3ccc(cc3)Cl)O)C(=O)C(=O)N2CCOC
Chemical ID:
5662242
Name [?]:
4-[(4-chlorophenyl)-hydroxy-methylene]-5-(4-isopropylphenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
CC(C)c1ccc(cc1)C2C(=C(c3ccc(cc3)Cl)O)C(=O)C(=O)N2CCOC
InChi [?]:
InChI=1/C23H24ClNO4/c1-14(2)15-4-6-16(7-5-15)20-19(21(26)17-8-10-18(24)11-9-17)22(27)23(28)25(20)12-13-29-3/h4-11,14,20,26H,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,29,5,9,6,8,14,18,15,17,26,27,2,4,7,13,16,11,10,12,21,23,19,25,20,22,24,28/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:29cCCCCCCCCCCCCCCCCCCClOCOCONCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s12;s11;d21;s21;d23;s10s23;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24ClNO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.0798
Area:611.68
Solvation:-4.21221
Coulombic:-54.5728
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:413.894
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.39
LogP (Chemaxon):3.32

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Descriptor Annotations

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