Chemical ID: 4864079

CCCOc1cccc(c1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)F
Chemical ID:
4864079
Name [?]:
4-(4-fluorobenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(3-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C26H29FN2O5/c1-2-14-34-21-5-3-4-19(17-21)23-22(24(30)18-6-8-20(27)9-7-18)25(31)26(32)29(23)11-10-28-12-15-33-16-13-28/h3-9,17,23,31H,2,10-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,8,6,29,33,30,32,18,17,20,24,3,21,23,10,28,9,31,5,12,11,26,13,14,34,19,16,27,25,15,22,4/E:(6,7)(8,9)(12,13)(15,16)/rA:34cCCCOCCCCCCCCCCONCCNCCOCCOCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;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:C26H29FN2O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.341
Area:715.762
Solvation:-7.55305
Coulombic:-67.3027
Bond Count [?]
All:37
Single:28
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:468.517
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.51
LogP (Chemaxon):1.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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