Chemical ID: 7023586

CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(c(c3)C)OC
Chemical ID:
7023586
Name [?]:
5-(4-butoxy-3-methoxy-phenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(c(c3)C)OC
InChi [?]:
InChI=1/C30H40N2O6/c1-7-10-17-38-24-14-11-21(19-25(24)37-6)27-26(28(33)22-12-13-23(36-5)20(4)18-22)29(34)30(35)32(27)16-15-31(8-2)9-3/h11-14,18-19,27,34H,7-10,15-17H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,24,26,36,38,13,2,23,25,3,8,31,32,7,21,20,4,35,10,34,9,30,33,6,11,15,14,28,16,17,22,19,29,27,18,37,12,5/E:(2,3)(8,9)/rA:38cCCCCOCCCCCCOCCCCCONCCNCCCCOCOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;d15;s16;d17;s14s17;s19;s20;s21;s22;s23;s22;s25;s16;s15;d28;s28;s30;d31;s32;d33;d30s34;s34;s33;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H40N2O6
All Atoms:78
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:11.7163
Area:829.629
Solvation:-9.02445
Coulombic:-69.1152
Bond Count [?]
All:40
Single:31
Double:9
Rotors:14
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:524.648
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.95
LogP (Chemaxon):1.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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