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Chemical ID: 4316280
Chemical ID:
4316280
Name [?]:
None
SMILES [?]:
CCC(=O)N1c2ccccc2NC3=C(C1c4c(cccc4Cl)Cl)C(=O)CC(C3)(C)C
InChi [?]:
InChI=1/C24H24Cl2N2O2/c1-4-20(30)28-18-11-6-5-10-16(18)27-17-12-24(2,3)13-19(29)22(17)23(28)21-14(25)8-7-9-15(21)26/h5-11,23,27H,4,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,30,2,9,8,19,18,20,10,7,28,26,17,21,11,13,6,24,3,16,14,15,27,23,22,12,5,25,4/E:(2,3)(8,9)(14,15)(25,26)/rA:30cCCCONCCCCCCNCCCCCCCCCClClCOCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;d13;s5s14;s15;s16;d17;s18;d19;d16s20;s21;s17;s14;d24;s24;s26;s13s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24Cl2N2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1341 |
Area: | 554.045 |
Solvation: | -2.717 |
Coulombic: | -37.0393 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 443.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.33 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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