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Chemical ID: 7029424
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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