Chemical ID: 4863164

CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCC)CCCN(C)C)O
Chemical ID:
4863164
Name [?]:
1-(3-dimethylaminopropyl)-4-(4-ethoxybenzoyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCC)CCCN(C)C)O
InChi [?]:
InChI=1/C27H34N2O6/c1-6-34-20-12-9-18(10-13-20)25(30)23-24(19-11-14-21(35-7-2)22(17-19)33-5)29(27(32)26(23)31)16-8-15-28(3)4/h9-14,17,24,31H,6-8,15-16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,28,33,34,25,2,27,30,6,8,19,5,9,20,31,29,23,7,18,4,21,22,12,17,10,13,14,32,16,11,35,15,24,3,26/E:(3,4)(9,10)(12,13)/rA:35cCCOCCCCCCCOCCCONCCCCCCCOCOCCCCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s16;s29;s30;s31;s32;s32;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N2O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:10.0102
Area:760.003
Solvation:-8.98988
Coulombic:-68.3844
Bond Count [?]
All:37
Single:28
Double:9
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:482.569
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.73
LogP (Chemaxon):-0.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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