Chemical ID: 4856247

Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4cccc(c4)O)CCN(C)C)O
Chemical ID:
4856247
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-5-(3-hydroxyphenyl)-4-[4-(m-tolylmethoxy)benzoyl]-5H-pyrrol-2-one
SMILES [?]:
Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4cccc(c4)O)CCN(C)C)O
InChi [?]:
InChI=1/C29H30N2O5/c1-19-6-4-7-20(16-19)18-36-24-12-10-21(11-13-24)27(33)25-26(22-8-5-9-23(32)17-22)31(15-14-30(2)3)29(35)28(25)34/h4-13,16-17,26,32,34H,14-15,18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,34,35,4,26,3,5,25,27,12,14,11,15,32,31,7,29,8,2,6,13,24,28,10,18,23,16,19,20,33,22,30,17,36,21,9/E:(2,3)(10,11)(12,13)/rA:36cCCCCCCCCOCCCCCCCOCCCONCCCCCCCOCCNCCO/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;s28;s22;s31;s32;s33;s33;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H30N2O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.2713
Area:762.327
Solvation:-6.78687
Coulombic:-72.5992
Bond Count [?]
All:39
Single:27
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:486.559
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.71
LogP (Chemaxon):1.4

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