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Chemical ID: 4817435
Chemical ID:
4817435
Name [?]:
5-(4-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(c(c4)C)OC
InChi [?]:
InChI=1/C27H32N2O6/c1-4-35-21-8-5-19(6-9-21)24-23(25(30)20-7-10-22(33-3)18(2)17-20)26(31)27(32)29(24)12-11-28-13-15-34-16-14-28/h5-10,17,24,31H,4,11-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,35,2,6,8,28,5,9,29,17,16,19,23,20,22,32,31,7,27,4,30,11,10,25,12,13,18,15,26,24,14,34,21,3/E:(5,6)(8,9)(13,14)(15,16)/rA:35cCCOCCCCCCCCCCONCCNCCOCCOCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s19;s20;s21;s18s22;s12;s11;d25;s25;s27;d28;s29;d30;d27s31;s31;s30;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H32N2O6 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2594 |
Area: | 740.023 |
Solvation: | -8.24118 |
Coulombic: | -69.8528 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 480.553 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.13 |
LogP (Chemaxon): | 0.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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