Chemical ID: 5287477

CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCOC)O
Chemical ID:
5287477
Name [?]:
3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-(4-isopropoxybenzoyl)-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)O)CCOC)O
InChi [?]:
InChI=1/C24H27NO7/c1-14(2)32-17-8-5-15(6-9-17)22(27)20-21(16-7-10-18(26)19(13-16)31-4)25(11-12-30-3)24(29)23(20)28/h5-10,13-14,21,26,28H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,31,26,7,9,20,6,10,21,28,29,24,2,8,19,5,22,23,13,18,11,14,15,17,27,12,32,16,30,25,4/E:(1,2)(5,6)(8,9)/rA:32cCCCOCCCCCCCOCCCONCCCCCCCOCOCCOCO/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;s17;s28;s29;s30;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27NO7
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:8.03691
Area:658.078
Solvation:-8.41504
Coulombic:-80.961
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:441.474
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.32
LogP (Chemaxon):2.03

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Descriptor Annotations

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