Chemical ID: 5292938

CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCN(C)C)O
Chemical ID:
5292938
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCN(C)C)O
InChi [?]:
InChI=1/C25H30N2O6/c1-5-14-33-18-9-6-16(7-10-18)23(29)21-22(17-8-11-19(28)20(15-17)32-4)27(13-12-26(2)3)25(31)24(21)30/h6-11,15,22,28,30H,5,12-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,32,26,2,7,9,20,6,10,21,29,28,3,24,8,19,5,22,23,13,18,11,14,15,30,17,27,12,33,16,25,4/E:(2,3)(6,7)(9,10)/rA:33cCCCOCCCCCCCOCCCONCCCCCCCOCOCCNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s17;s28;s29;s30;s30;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H30N2O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:9.60069
Area:713.028
Solvation:-8.225
Coulombic:-77.768
Bond Count [?]
All:35
Single:26
Double:9
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:454.516
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.26
LogP (Chemaxon):-0.31

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Descriptor Annotations

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