Chemical ID: 4854573

Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4cccc(c4)OC)CCN(C)C)O
Chemical ID:
4854573
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-5-(3-methoxyphenyl)-4-[4-(m-tolylmethoxy)benzoyl]-5H-pyrrol-2-one
SMILES [?]:
Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4cccc(c4)OC)CCN(C)C)O
InChi [?]:
InChI=1/C30H32N2O5/c1-20-7-5-8-21(17-20)19-37-24-13-11-22(12-14-24)28(33)26-27(23-9-6-10-25(18-23)36-4)32(16-15-31(2)3)30(35)29(26)34/h5-14,17-18,27,34H,15-16,19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,35,36,31,4,26,3,5,25,27,12,14,11,15,33,32,7,29,8,2,6,13,24,10,28,18,23,16,19,20,34,22,17,37,21,30,9/E:(2,3)(11,12)(13,14)/rA:37cCCCCCCCCOCCCCCCCOCCCONCCCCCCCOCCCNCCO/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;s22;s32;s33;s34;s34;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H32N2O5
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:12.5475
Area:783.561
Solvation:-7.04154
Coulombic:-64.0207
Bond Count [?]
All:40
Single:28
Double:12
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:500.586
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.03
LogP (Chemaxon):1.45

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue