Chemical ID: 7015445

CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Cl)CCN(C)C)O
Chemical ID:
7015445
Name [?]:
5-(3-chlorophenyl)-1-(2-dimethylaminoethyl)-4-(3-ethoxybenzoyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Cl)CCN(C)C)O
InChi [?]:
InChI=1/C23H25ClN2O4/c1-4-30-18-10-6-8-16(14-18)21(27)19-20(15-7-5-9-17(24)13-15)26(12-11-25(2)3)23(29)22(19)28/h5-10,13-14,20,28H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,29,2,20,6,19,7,21,5,26,25,23,9,18,8,22,4,12,17,10,13,14,24,27,16,11,30,15,3/E:(2,3)/rA:30cCCOCCCCCCCOCCCONCCCCCCCClCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s16;s25;s26;s27;s27;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25ClN2O4
All Atoms:55
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.2121
Area:672.098
Solvation:-5.59036
Coulombic:-55.965
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:4.01
LogP (Chemaxon):0.27

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Descriptor Annotations

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