Chemical ID: 7069699

CN(C)CCN1C(C(=C(C1=O)O)C(=O)C=Cc2ccccc2)c3ccc(cc3)OC
Chemical ID:
7069699
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-methoxyphenyl)-4-(3-phenylprop-2-enoyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)C=Cc2ccccc2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C24H26N2O4/c1-25(2)15-16-26-22(18-10-12-19(30-3)13-11-18)21(23(28)24(26)29)20(27)14-9-17-7-5-4-6-8-17/h4-14,22,28H,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,30,20,19,21,18,22,16,24,28,25,27,15,4,5,17,23,26,13,8,7,9,10,2,6,14,12,11,29/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:30cCNCCCNCCCCOOCOCCCCCCCCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s7;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26N2O4
All Atoms:56
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.73527
Area:631.358
Solvation:-6.04869
Coulombic:-55.689
Bond Count [?]
All:32
Single:22
Double:10
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:406.474
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.24
LogP (Chemaxon):0.1

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Descriptor Annotations

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