Chemical ID: 5746592

CC1Cc2cc(ccc2O1)C(=C3C(N(C(=O)C3=O)CCCOC)c4ccc(cc4)C(=O)OC)O
Chemical ID:
5746592
Name [?]:
methyl 4-[3-[hydroxy-(2-methyl-2,3-dihydrobenzofuran-5-yl)-methylene]-1-(3-methoxypropyl)-4,5-dioxo-pyrrolidin-2-yl]benzoate
SMILES [?]:
CC1Cc2cc(ccc2O1)C(=C3C(N(C(=O)C3=O)CCCOC)c4ccc(cc4)C(=O)OC)O
InChi [?]:
InChI=1/C26H27NO7/c1-15-13-19-14-18(9-10-20(19)34-15)23(28)21-22(16-5-7-17(8-6-16)26(31)33-3)27(11-4-12-32-2)25(30)24(21)29/h5-10,14-15,22,28H,4,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,33,20,25,29,26,28,7,8,19,21,3,5,2,24,27,6,4,9,12,13,11,17,15,30,14,34,18,16,31,22,32,10/E:(5,6)(7,8)/rA:34cCCCCCCCCCOCCCNCOCOCCCOCCCCCCCCOOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;w11;s12;s13;s14;d15;s12s15;d17;s14;s19;s20;s21;s22;s13;s24;d25;s26;d27;d24s28;s27;d30;s30;s32;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27NO7
All Atoms:34
Heavy Atoms:34
Chiral Atoms:2
ZAP Information [?]
Total:9.82055
Area:681.84
Solvation:-7.22545
Coulombic:-78.3946
Bond Count [?]
All:37
Single:27
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:465.495
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.88
LogP (Chemaxon):1.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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