Chemical ID: 6614002

CCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCCN(C)C)O
Chemical ID:
6614002
Name [?]:
5-(3,4-dichlorophenyl)-1-(3-dimethylaminopropyl)-4-(4-ethoxy-3-methyl-benzoyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1C)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCCN(C)C)O
InChi [?]:
InChI=1/C25H28Cl2N2O4/c1-5-33-20-10-8-17(13-15(20)2)23(30)21-22(16-7-9-18(26)19(27)14-16)29(25(32)24(21)31)12-6-11-28(3)4/h7-10,13-14,22,31H,5-6,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,10,31,32,2,28,20,6,21,5,29,27,8,24,9,19,7,22,23,4,13,18,11,14,15,26,25,30,17,12,33,16,3/E:(3,4)/rA:33cCCOCCCCCCCCOCCCONCCCCCCCClClCCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s22;s17;s27;s28;s29;s30;s30;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28Cl2N2O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:13.169
Area:750.012
Solvation:-5.58133
Coulombic:-55.9886
Bond Count [?]
All:35
Single:26
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:491.406
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.22
LogP (Chemaxon):0.92

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Descriptor Annotations

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