Chemical ID: 4862558

Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4ccccc4)CCOC)O
Chemical ID:
4862558
Name [?]:
3-hydroxy-1-(2-methoxyethyl)-4-[4-(m-tolylmethoxy)benzoyl]-5-phenyl-5H-pyrrol-2-one
SMILES [?]:
Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4ccccc4)CCOC)O
InChi [?]:
InChI=1/C28H27NO5/c1-19-7-6-8-20(17-19)18-34-23-13-11-22(12-14-23)26(30)24-25(21-9-4-3-5-10-21)29(15-16-33-2)28(32)27(24)31/h3-14,17,25,31H,15-16,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,27,26,28,4,3,5,25,29,12,14,11,15,30,31,7,8,2,6,24,13,10,18,23,16,19,20,22,17,34,21,32,9/E:(4,5)(9,10)(11,12)(13,14)/rA:34cCCCCCCCCOCCCCCCCOCCCONCCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;d18;s19;d20;s20;s18s22;s23;s24;d25;s26;d27;d24s28;s22;s30;s31;s32;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H27NO5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.6163
Area:711.216
Solvation:-6.16406
Coulombic:-60.9937
Bond Count [?]
All:37
Single:25
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:457.518
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.07
LogP (Chemaxon):4.05

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Descriptor Annotations

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