Chemical ID: 7015472

CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3cccc(c3)OCCC
Chemical ID:
7015472
Name [?]:
5-(4-butoxy-3-methoxy-phenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3cccc(c3)OCCC
InChi [?]:
InChI=1/C29H38N2O6/c1-6-8-17-37-23-13-12-20(19-24(23)35-5)26-25(28(33)29(34)31(26)15-14-30(3)4)27(32)21-10-9-11-22(18-21)36-16-7-2/h9-13,18-19,26,33H,6-8,14-17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,37,23,24,13,2,36,3,30,29,31,8,7,21,20,35,4,33,10,9,28,32,6,11,15,14,26,16,17,22,19,27,25,18,12,34,5/E:(3,4)/rA:37cCCCCOCCCCCCOCCCCCONCCNCCOCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;d15;s16;d17;s14s17;s19;s20;s21;s22;s22;s16;s15;d26;s26;s28;d29;s30;d31;d28s32;s32;s34;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H38N2O6
All Atoms:75
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:11.2267
Area:812.915
Solvation:-9.09622
Coulombic:-69.4831
Bond Count [?]
All:39
Single:30
Double:9
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:510.622
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.66
LogP (Chemaxon):0.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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