Chemical ID: 7019817

CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2cc(ccc2C)C)c3cc(c(c(c3)OC)OC)OC
Chemical ID:
7019817
Name [?]:
1-(3-diethylaminopropyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2cc(ccc2C)C)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C29H38N2O6/c1-8-30(9-2)13-10-14-31-25(20-16-22(35-5)28(37-7)23(17-20)36-6)24(27(33)29(31)34)26(32)21-15-18(3)11-12-19(21)4/h11-12,15-17,25,33H,8-10,13-14H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,5,25,24,33,37,35,2,4,7,21,22,6,8,19,31,27,20,23,26,18,30,28,11,10,16,12,29,13,3,9,17,15,14,32,36,34/E:(1,2)(5,6)(8,9)(16,17)(22,23)(35,36)/rA:37cCCNCCCCCNCCCCOOCOCCCCCCCCCCCCCCOCOCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s9s12;d13;s12;s11;d16;s16;s18;d19;s20;d21;d18s22;s23;s20;s10;s26;d27;s28;d29;d26s30;s30;s32;s29;s34;s28;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N2O6
All Atoms:75
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:10.9279
Area:762.595
Solvation:-8.13699
Coulombic:-69.8966
Bond Count [?]
All:39
Single:30
Double:9
Rotors:12
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:510.622
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.47
LogP (Chemaxon):0.19

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