Chemical ID: 6431595

CCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccccc3F)CCCN(C)C)O
Chemical ID:
6431595
Name [?]:
1-(3-dimethylaminopropyl)-4-(4-ethoxy-3-methyl-benzoyl)-5-(2-fluorophenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccccc3F)CCCN(C)C)O
InChi [?]:
InChI=1/C25H29FN2O4/c1-5-32-20-12-11-17(15-16(20)2)23(29)21-22(18-9-6-7-10-19(18)26)28(25(31)24(21)30)14-8-13-27(3)4/h6-7,9-12,15,22,30H,5,8,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,10,30,31,2,21,22,27,20,23,6,5,28,26,8,9,7,19,24,4,13,18,11,14,15,25,29,17,12,32,16,3/E:(3,4)/rA:32cCCOCCCCCCCCOCCCONCCCCCCCFCCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s24;s17;s26;s27;s28;s29;s29;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29FN2O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.4025
Area:684.418
Solvation:-5.70799
Coulombic:-59.5159
Bond Count [?]
All:34
Single:25
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:440.507
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.13
LogP (Chemaxon):0.06

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Descriptor Annotations

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