Chemical ID: 4655064

COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)O)CCN4CCOCC4)O
Chemical ID:
4655064
Name [?]:
3-hydroxy-5-(4-hydroxyphenyl)-4-(4-methoxybenzoyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)O)CCN4CCOCC4)O
InChi [?]:
InChI=1/C24H26N2O6/c1-31-19-8-4-17(5-9-19)22(28)20-21(16-2-6-18(27)7-3-16)26(24(30)23(20)29)11-10-25-12-14-32-15-13-25/h2-9,21,27,29H,10-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,22,5,7,19,21,4,8,25,24,27,31,28,30,17,6,20,3,11,16,9,12,13,26,15,23,10,32,14,2,29/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15)/rA:32cCOCCCCCCCOCCCONCCCCCCCOCCNCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;s25;s26;s27;s28;s29;s26s30;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26N2O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:9.00892
Area:671.233
Solvation:-7.77191
Coulombic:-78.6335
Bond Count [?]
All:35
Single:26
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:438.473
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.16
LogP (Chemaxon):-0.06

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Descriptor Annotations

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