Chemical ID: 6208032

CN(C)c1ccc(cc1)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccc(cc4)F
Chemical ID:
6208032
Name [?]:
1-benzyl-5-(4-dimethylaminophenyl)-4-(4-fluorobenzoyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CN(C)c1ccc(cc1)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C26H23FN2O3/c1-28(2)21-14-10-18(11-15-21)23-22(24(30)19-8-12-20(27)13-9-19)25(31)26(32)29(23)16-17-6-4-3-5-7-17/h3-15,23,31H,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,19,21,18,22,27,31,6,8,28,30,5,9,16,17,7,26,29,4,11,10,24,12,13,32,2,15,25,23,14/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:32cCNCCCCCCCCCCCONCCCCCCCOCOCCCCCCF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;d18;s19;d20;d17s21;s12;s11;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H23FN2O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.9248
Area:649.791
Solvation:-5.31992
Coulombic:-54.7472
Bond Count [?]
All:35
Single:23
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:430.471
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.28
LogP (Chemaxon):3.92

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Descriptor Annotations

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