Chemical ID: 5275900

CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCOC)O
Chemical ID:
5275900
Name [?]:
3-hydroxy-4-(4-isopropoxybenzoyl)-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCOC)O
InChi [?]:
InChI=1/C26H31NO8/c1-15(2)35-18-9-7-16(8-10-18)23(28)21-22(27(11-12-31-3)26(30)24(21)29)17-13-19(32-4)25(34-6)20(14-17)33-5/h7-10,13-15,22,29H,11-12H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,34,26,30,28,7,9,6,10,31,32,24,20,2,8,19,5,23,21,13,18,11,14,22,15,17,12,35,16,33,25,29,27,4/E:(1,2)(4,5)(7,8)(9,10)(13,14)(19,20)(32,33)/rA:35cCCCOCCCCCCCOCCCONCCCCCCCOCOCOCCCOCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s21;s29;s17;s31;s32;s33;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H31NO8
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:7.56556
Area:719.009
Solvation:-10.4097
Coulombic:-78.852
Bond Count [?]
All:37
Single:28
Double:9
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:485.526
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.15
LogP (Chemaxon):1.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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