Chemical ID: 4856242

Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4ccc(c(c4)OC)O)CCCN(C)C)O
Chemical ID:
4856242
Name [?]:
1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-[4-(m-tolylmethoxy)benzoyl]-5H-pyrrol-2-one
SMILES [?]:
Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4ccc(c(c4)OC)O)CCCN(C)C)O
InChi [?]:
InChI=1/C31H34N2O6/c1-20-7-5-8-21(17-20)19-39-24-12-9-22(10-13-24)29(35)27-28(23-11-14-25(34)26(18-23)38-4)33(31(37)30(27)36)16-6-15-32(2)3/h5,7-14,17-18,28,34,36H,6,15-16,19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,37,38,31,4,34,3,5,12,14,25,11,15,26,35,33,7,29,8,2,6,13,24,10,27,28,18,23,16,19,20,36,22,32,17,39,21,30,9/E:(2,3)(9,10)(12,13)/rA:39cCCCCCCCCOCCCCCCCOCCCONCCCCCCCOCOCCCNCCO/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;s30;s27;s22;s33;s34;s35;s36;s36;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H34N2O6
All Atoms:39
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:11.7752
Area:820.975
Solvation:-8.74912
Coulombic:-78.7924
Bond Count [?]
All:42
Single:30
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:530.612
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:4.98
LogP (Chemaxon):0.82

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