Chemical ID: 4827681

c1ccc(cc1)C=CC(=O)C2=C(C(=O)N(C2c3ccccc3)CCO)O
Chemical ID:
4827681
Name [?]:
3-hydroxy-1-(2-hydroxyethyl)-5-phenyl-4-(3-phenylprop-2-enoyl)-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)C=CC(=O)C2=C(C(=O)N(C2c3ccccc3)CCO)O
InChi [?]:
InChI=1/C21H19NO4/c23-14-13-22-19(16-9-5-2-6-10-16)18(20(25)21(22)26)17(24)12-11-15-7-3-1-4-8-15/h1-12,19,23,25H,13-14H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,3,5,18,22,7,8,23,24,4,17,9,11,16,12,13,15,25,10,26,14/E:(3,4)(5,6)(7,8)(9,10)/rA:26cCCCCCCCCCOCCCONCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s15;s23;s24;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:8.39808
Area:543.135
Solvation:-5.18028
Coulombic:-60.7046
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:349.38
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.76
LogP (Chemaxon):2.29

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