Chemical ID: 6612699

Cc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccncc3)O)C(=O)c4ccc(cc4)OC
Chemical ID:
6612699
Name [?]:
3-hydroxy-4-(4-methoxybenzoyl)-5-(p-tolyl)-1-(4-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C2C(=C(C(=O)N2Cc3ccncc3)O)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C25H22N2O4/c1-16-3-5-18(6-4-16)22-21(23(28)19-7-9-20(31-2)10-8-19)24(29)25(30)27(22)15-17-11-13-26-14-12-17/h3-14,22,29H,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,3,7,4,6,25,29,26,28,16,20,17,19,14,2,15,5,24,27,9,8,22,10,11,18,13,23,21,12,30/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:31cCCCCCCCCCCCONCCCCNCCOCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s8s11;s13;s14;s15;d16;s17;d18;d15s19;s10;s9;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.13
Area:636.791
Solvation:-5.78975
Coulombic:-55.3456
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:414.453
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.01
LogP (Chemaxon):2.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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