Chemical ID: 5271371

CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)O)CCCOC)O
Chemical ID:
5271371
Name [?]:
3-hydroxy-5-(4-hydroxyphenyl)-4-(4-isobutoxybenzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)O)CCCOC)O
InChi [?]:
InChI=1/C25H29NO6/c1-16(2)15-32-20-11-7-18(8-12-20)23(28)21-22(17-5-9-19(27)10-6-17)26(13-4-14-31-3)25(30)24(21)29/h5-12,16,22,27,29H,4,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,31,28,21,25,8,10,22,24,7,11,27,29,4,2,20,9,23,6,14,19,12,15,16,18,26,13,32,17,30,5/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:32cCCCCOCCCCCCCOCCCONCCCCCCCOCCCOCO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;d14;s15;d16;s16;s14s18;s19;s20;d21;s22;d23;d20s24;s23;s18;s27;s28;s29;s30;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29NO6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.2577
Area:707.58
Solvation:-7.43184
Coulombic:-74.3885
Bond Count [?]
All:34
Single:25
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:439.501
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.95
LogP (Chemaxon):2.79

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Descriptor Annotations

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