Chemical ID: 7029424

CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(cc4Cl)Cl
Chemical ID:
7029424
Name [?]:
5-(2,4-dichlorophenyl)-1-(3-dimethylaminopropyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C24H24Cl2N2O5/c1-27(2)8-3-9-28-21(16-6-5-15(25)13-17(16)26)20(23(30)24(28)31)22(29)14-4-7-18-19(12-14)33-11-10-32-18/h4-7,12-13,21,30H,3,8-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,17,28,27,18,4,6,24,23,21,30,16,29,26,31,19,20,9,8,14,10,11,33,32,2,7,15,13,12,25,22/E:(1,2)/rA:33cCNCCCCNCCCCOOCOCCCCCCOCCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;s16;d17;s18;d19;d16s20;s20;s22;s23;s19s24;s8;s26;d27;s28;d29;d26s30;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24Cl2N2O5
All Atoms:57
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.117
Area:704.919
Solvation:-5.50595
Coulombic:-64.681
Bond Count [?]
All:36
Single:27
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:491.363
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.27
LogP (Chemaxon):-0.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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