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Chemical ID: 6033764
Chemical ID:
6033764
Name [?]:
4-chloro-N-(2-methoxyethyl)-N-[[4-(2-pyridylmethylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
COCCN(CC(=O)Nc1nc(cs1)CC(=O)NCc2ccccn2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H24ClN5O4S/c1-33-11-10-29(22(32)16-5-7-17(24)8-6-16)14-21(31)28-23-27-19(15-34-23)12-20(30)26-13-18-4-2-3-9-25-18/h2-9,15H,10-14H2,1H3,(H,26,30)(H,27,28,31)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,29,33,30,32,24,4,3,15,19,6,13,28,31,20,12,16,7,26,10,34,25,18,11,9,5,17,8,27,2,14/E:(5,6)(7,8)/rA:34nCOCCNCCONCNCCSCCONCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s5;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24ClN5O4S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4574 |
Area: | 757.773 |
Solvation: | -8.48699 |
Coulombic: | -73.3665 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 501.987 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.4 |
LogP (Chemaxon): | 1.91 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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