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Chemical ID: 6033692
Chemical ID:
6033692
Name [?]:
2,4-dichloro-N-(2-methoxyethyl)-N-[[4-(morpholinocarbonylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
COCCN(CC(=O)Nc1nc(cs1)CC(=O)N2CCOCC2)C(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H24Cl2N4O5S/c1-31-7-4-27(20(30)16-3-2-14(22)10-17(16)23)12-18(28)25-21-24-15(13-33-21)11-19(29)26-5-8-32-9-6-26/h2-3,10,13H,4-9,11-12H2,1H3,(H,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,28,27,4,19,23,3,20,22,30,15,6,13,29,12,26,31,7,16,24,10,33,32,11,9,18,5,8,17,25,2,21,14/E:(5,6)(8,9)/rA:33nCOCCNCCONCNCCSCCONCCOCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s16;s18;s19;s20;s21;s18s22;s5;d24;s24;s26;d27;s28;d29;d26s30;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24Cl2N4O5S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49267 |
Area: | 734.377 |
Solvation: | -9.86674 |
Coulombic: | -70.2877 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 515.411 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 1.22 |
LogP (Chemaxon): | 1.72 |
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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