Chemical ID: 4564716

CC(C)Oc1ccc(cc1)C(CCN2C(=O)CCC2=O)Cc3ccccc3
Chemical ID:
4564716
Name [?]:
1-[3-(4-isopropoxyphenyl)-4-phenyl-butyl]pyrrolidine-2,5-dione
SMILES [?]:
CC(C)Oc1ccc(cc1)C(CCN2C(=O)CCC2=O)Cc3ccccc3
InChi [?]:
InChI=1/C23H27NO3/c1-17(2)27-21-10-8-19(9-11-21)20(16-18-6-4-3-5-7-18)14-15-24-22(25)12-13-23(24)26/h3-11,17,20H,12-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,25,24,26,23,27,7,9,6,10,17,18,12,13,21,2,22,8,11,5,15,19,14,16,20,4/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(22,23)(25,26)/rA:27cCCCOCCCCCCCCCNCOCCCOCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;d15;s15;s17;s14s18;d19;s11;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.5315
Area:599.053
Solvation:-4.44478
Coulombic:-32.9808
Bond Count [?]
All:29
Single:21
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:365.465
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.14
LogP (Chemaxon):4.04

Name Annotations

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Descriptor Annotations

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