Chemical ID: 4209090

CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3ccc(cc3)Cl
Chemical ID:
4209090
Name [?]:
5-(4-chlorophenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-methoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H25ClN2O4/c1-25(2)13-4-14-26-20(15-5-9-17(24)10-6-15)19(22(28)23(26)29)21(27)16-7-11-18(30-3)12-8-16/h5-12,20,28H,4,13-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,23,5,25,29,17,21,26,28,18,20,4,6,24,16,27,19,9,8,14,10,11,30,2,7,15,13,12,22/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:30cCNCCCCNCCCCOOCOCCCCCCOCCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s8;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25ClN2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.9637
Area:658.553
Solvation:-5.50015
Coulombic:-55.9211
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:428.908
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.95
LogP (Chemaxon):-0.38

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Descriptor Annotations

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