Chemical ID: 7452278

CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cccnc3)O
Chemical ID:
7452278
Name [?]:
4-[hydroxy-(4-isopropoxyphenyl)-methylene]-1-(2-methoxyethyl)-5-(3-pyridyl)pyrrolidine-2,3-dione
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3cccnc3)O
InChi [?]:
InChI=1/C22H24N2O5/c1-14(2)29-17-8-6-15(7-9-17)20(25)18-19(16-5-4-10-23-13-16)24(11-12-28-3)22(27)21(18)26/h4-10,13-14,19,25H,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,22,25,24,7,9,6,10,26,19,20,28,2,8,23,5,12,13,11,17,15,27,14,29,18,16,21,4/E:(1,2)(6,7)(8,9)/rA:29cCCCOCCCCCCCCCNCOCOCCOCCCCCNCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;s14;d15;s12s15;d17;s14;s19;s20;s21;s13;s23;d24;s25;d26;d23s27;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O5
All Atoms:53
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:7.6672
Area:580.665
Solvation:-6.84943
Coulombic:-62.3022
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:396.436
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.91
LogP (Chemaxon):0.47

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Descriptor Annotations

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