Chemical ID: 4856757

COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OCC=C)Cc4cccnc4)O
Chemical ID:
4856757
Name [?]:
5-(3-allyloxyphenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OCC=C)Cc4cccnc4)O
InChi [?]:
InChI=1/C27H24N2O5/c1-3-14-34-22-8-4-7-20(15-22)24-23(25(30)19-9-11-21(33-2)12-10-19)26(31)27(32)29(24)17-18-6-5-13-28-16-18/h3-13,15-16,24,31H,1,14,17H2,2H3
InChi Info:
AuxInfo=1/0/N:26,1,25,19,30,29,18,20,5,7,4,8,31,24,22,33,27,28,6,17,3,21,11,16,9,12,13,32,15,10,34,14,2,23/E:(9,10)(11,12)/rA:34cCOCCCCCCCOCCCONCCCCCCCOCCCCCCCCNCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;d25;s15;s27;s28;d29;s30;d31;d28s32;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H24N2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.5203
Area:702.398
Solvation:-7.03969
Coulombic:-63.8785
Bond Count [?]
All:37
Single:24
Double:13
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:456.49
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.1
LogP (Chemaxon):2.42

Name Annotations

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Descriptor Annotations

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