Chemical ID: 7015453

CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)F)CCN(C)C)O
Chemical ID:
7015453
Name [?]:
1-(2-dimethylaminoethyl)-5-(4-fluorophenyl)-3-hydroxy-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)F)CCN(C)C)O
InChi [?]:
InChI=1/C24H27FN2O4/c1-4-14-31-19-7-5-6-17(15-19)22(28)20-21(16-8-10-18(25)11-9-16)27(13-12-26(2)3)24(30)23(20)29/h5-11,15,21,29H,4,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,30,2,7,8,6,20,24,21,23,27,26,3,10,19,9,22,5,13,18,11,14,15,25,28,17,12,31,16,4/E:(2,3)(8,9)(10,11)/rA:31cCCCOCCCCCCCOCCCONCCCCCCCFCCNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s22;s17;s26;s27;s28;s28;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27FN2O4
All Atoms:58
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.4333
Area:670.958
Solvation:-6.34068
Coulombic:-59.4194
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:426.481
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.91
LogP (Chemaxon):0.35

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Descriptor Annotations

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