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Chemical ID: 4655064
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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