Chemical ID: 7069683

CN(C)CCN1C(C(=C(C1=O)O)C(=O)C=Cc2ccccc2)c3cccc(c3)Oc4ccccc4
Chemical ID:
7069683
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-5-(3-phenoxyphenyl)-4-(3-phenylprop-2-enoyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)C=Cc2ccccc2)c3cccc(c3)Oc4ccccc4
InChi [?]:
InChI=1/C29H28N2O4/c1-30(2)18-19-31-27(22-12-9-15-24(20-22)35-23-13-7-4-8-14-23)26(28(33)29(31)34)25(32)17-16-21-10-5-3-6-11-21/h3-17,20,27,33H,18-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,33,19,21,32,34,25,18,22,24,31,35,26,16,15,4,5,28,17,23,30,27,13,8,7,9,10,2,6,14,12,11,29/E:(1,2)(5,6)(7,8)(10,11)(13,14)/rA:35cCNCCCNCCCCOOCOCCCCCCCCCCCCCCOCCCCCC/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;s27;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H28N2O4
All Atoms:63
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.0504
Area:698.999
Solvation:-5.42458
Coulombic:-57.8358
Bond Count [?]
All:38
Single:25
Double:13
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:468.544
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.8
LogP (Chemaxon):1.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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