Chemical ID: 7015464

CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OCC)O)CCN(C)C)O
Chemical ID:
7015464
Name [?]:
1-(2-dimethylaminoethyl)-5-(3-ethoxy-4-hydroxy-phenyl)-3-hydroxy-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OCC)O)CCN(C)C)O
InChi [?]:
InChI=1/C26H32N2O6/c1-5-14-34-19-9-7-8-18(15-19)24(30)22-23(17-10-11-20(29)21(16-17)33-6-2)28(13-12-27(3)4)26(32)25(22)31/h7-11,15-16,23,29,31H,5-6,12-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,32,33,2,26,7,8,6,20,21,30,29,3,10,24,19,9,5,22,23,13,18,11,14,15,31,17,28,12,34,16,25,4/E:(3,4)/rA:34cCCCOCCCCCCCOCCCONCCCCCCCOCCOCCNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s26;s22;s17;s29;s30;s31;s31;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H32N2O6
All Atoms:66
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.2267
Area:737.596
Solvation:-8.2132
Coulombic:-77.9207
Bond Count [?]
All:36
Single:27
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:468.542
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.68
LogP (Chemaxon):0.05

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Descriptor Annotations

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