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Chemical ID: 4207301
Chemical ID:
4207301
Name [?]:
5-(3,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1OC)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C25H27FN2O6/c1-32-19-8-5-17(15-20(19)33-2)22-21(23(29)16-3-6-18(26)7-4-16)24(30)25(31)28(22)10-9-27-11-13-34-14-12-27/h3-8,15,22,30H,9-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,29,33,5,30,32,4,18,17,20,24,21,23,7,28,6,31,3,8,12,11,26,13,14,34,19,16,27,25,15,2,9,22/E:(3,4)(6,7)(11,12)(13,14)/rA:34cCOCCCCCCOCCCCCONCCNCCOCCOCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s21;s22;s19s23;s13;s12;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27FN2O6 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.12377 |
Area: | 691.836 |
Solvation: | -10.1721 |
Coulombic: | -72.2463 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 470.49 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 2.37 |
LogP (Chemaxon): | -0.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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