Chemical ID: 7022724

Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCCC(C)C)CCN(C)C)O)OC(C)C
Chemical ID:
7022724
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-isopentyloxy-3-methoxy-phenyl)-4-(4-isopropoxy-2-methyl-benzoyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OCCC(C)C)CCN(C)C)O)OC(C)C
InChi [?]:
InChI=1/C31H42N2O6/c1-19(2)13-16-38-25-12-9-22(18-26(25)37-8)28-27(30(35)31(36)33(28)15-14-32(6)7)29(34)24-11-10-23(17-21(24)5)39-20(3)4/h9-12,17-20,28,35H,13-16H2,1-8H3
InChi Info:
AuxInfo=1/0/N:28,29,38,39,1,33,34,23,17,5,6,18,26,31,30,25,3,21,27,37,2,16,4,7,19,20,10,15,8,11,12,32,14,9,35,13,22,24,36/E:(1,2)(3,4)(6,7)/rA:39cCCCCCCCCOCCCONCCCCCCCOCOCCCCCCCNCCOOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s25;s26;s27;s27;s14;s30;s31;s32;s32;s11;s4;s36;s37;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H42N2O6
All Atoms:81
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:12.7705
Area:828.26
Solvation:-7.93601
Coulombic:-70.8432
Bond Count [?]
All:41
Single:32
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:538.675
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:5.71
LogP (Chemaxon):1.68

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