Chemical ID: 7034995

CCOc1cccc(c1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(cc3)Cl
Chemical ID:
7034995
Name [?]:
4-(4-chlorobenzoyl)-1-(3-dimethylaminopropyl)-5-(3-ethoxyphenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H27ClN2O4/c1-4-31-19-8-5-7-17(15-19)21-20(22(28)16-9-11-18(25)12-10-16)23(29)24(30)27(21)14-6-13-26(2)3/h5,7-12,15,21,29H,4,6,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,21,2,6,17,7,5,26,30,27,29,18,16,9,25,8,28,4,11,10,23,12,13,31,19,15,24,22,14,3/E:(2,3)(9,10)(11,12)/rA:31cCCOCCCCCCCCCCONCCCNCCOCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s19;s19;s12;s11;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27ClN2O4
All Atoms:58
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.1619
Area:703.816
Solvation:-5.4335
Coulombic:-56.211
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:442.935
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.37
LogP (Chemaxon):-0.03

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Descriptor Annotations

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