Chemical ID: 5284043

CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OCc3ccccc3)c4ccc(cc4)O
Chemical ID:
5284043
Name [?]:
4-(4-benzyloxybenzoyl)-1-(3-dimethylaminopropyl)-3-hydroxy-5-(4-hydroxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OCc3ccccc3)c4ccc(cc4)O
InChi [?]:
InChI=1/C29H30N2O5/c1-30(2)17-6-18-31-26(21-9-13-23(32)14-10-21)25(28(34)29(31)35)27(33)22-11-15-24(16-12-22)36-19-20-7-4-3-5-8-20/h3-5,7-16,26,32,34H,6,17-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,27,26,28,5,25,29,31,35,17,21,32,34,18,20,4,6,23,24,30,16,33,19,9,8,14,10,11,2,7,36,15,13,12,22/E:(1,2)(4,5)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:36cCNCCCCNCCCCOOCOCCCCCCOCCCCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s8;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H30N2O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.0212
Area:754.019
Solvation:-6.82925
Coulombic:-72.8342
Bond Count [?]
All:39
Single:27
Double:12
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:486.559
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.63
LogP (Chemaxon):0.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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