Chemical ID: 4654129

Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C(C)(C)C)CCCN(C)C)O
Chemical ID:
4654129
Name [?]:
1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-5-(4-tert-butylphenyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C(C)(C)C)CCCN(C)C)O
InChi [?]:
InChI=1/C28H36N2O4/c1-18-17-20(11-14-22(18)34-7)25(31)23-24(19-9-12-21(13-10-19)28(2,3)4)30(27(33)26(23)32)16-8-15-29(5)6/h9-14,17,24,32H,8,15-16H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,25,26,27,32,33,9,29,19,23,5,20,22,6,30,28,3,2,18,4,21,7,12,17,10,13,14,24,31,16,11,34,15,8/E:(2,3,4)(5,6)(9,10)(12,13)/rA:34cCCCCCCCOCCOCCCONCCCCCCCCCCCCCCNCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;s24;s16;s28;s29;s30;s31;s31;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H36N2O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.8902
Area:739.296
Solvation:-5.59217
Coulombic:-56.2731
Bond Count [?]
All:36
Single:27
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:464.597
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.37
LogP (Chemaxon):1.31

Name Annotations

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Descriptor Annotations

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