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Chemical ID: 6033685
Chemical ID:
6033685
Name [?]:
2,4-dichloro-N-[[4-(cyclohexylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-(2-methoxyethyl)benzamide
SMILES [?]:
COCCN(CC(=O)Nc1nc(cs1)CC(=O)NC2CCCCC2)C(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C23H28Cl2N4O4S/c1-33-10-9-29(22(32)18-8-7-15(24)11-19(18)25)13-21(31)28-23-27-17(14-34-23)12-20(30)26-16-5-3-2-4-6-16/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3,(H,26,30)(H,27,28,31)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,20,24,29,28,4,3,31,15,6,13,30,19,12,27,32,16,7,25,10,34,33,18,11,9,5,17,8,26,2,14/E:(3,4)(5,6)/rA:34nCOCCNCCONCNCCSCCONCCCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;s5;d25;s25;s27;d28;s29;d30;d27s31;s32;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28Cl2N4O4S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8718 |
Area: | 764.323 |
Solvation: | -8.23625 |
Coulombic: | -68.3461 |
Bond Count [?]
All: | 36 |
Single: | 28 |
Double: | 8 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 527.464 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.3 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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