Chemical ID: 7023577

CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(cc3)OC(C)C
Chemical ID:
7023577
Name [?]:
5-(4-butoxy-3-methoxy-phenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN(CC)CC)O)C(=O)c3ccc(cc3)OC(C)C
InChi [?]:
InChI=1/C31H42N2O6/c1-7-10-19-38-25-16-13-23(20-26(25)37-6)28-27(29(34)22-11-14-24(15-12-22)39-21(4)5)30(35)31(36)33(28)18-17-32(8-2)9-3/h11-16,20-21,28,35H,7-10,17-19H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,24,26,38,39,13,2,23,25,3,31,35,8,32,34,7,21,20,4,10,37,30,9,33,6,11,15,14,28,16,17,22,19,29,27,18,12,5,36/E:(2,3)(4,5)(8,9)(11,12)(14,15)/rA:39cCCCCOCCCCCCOCCCCCONCCNCCCCOCOCCCCCCOCCC/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;s33;s36;s37;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H42N2O6
All Atoms:81
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:12.7599
Area:852.624
Solvation:-8.5557
Coulombic:-70.0854
Bond Count [?]
All:41
Single:32
Double:9
Rotors:15
Chiral:0
Rigid Segments:11
Chemical Properties
Molecular Weight:538.675
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:5.61
LogP (Chemaxon):1.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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