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Chemical ID: 6030465
Chemical ID:
6030465
Name [?]:
2,4-dichloro-N-isopropyl-N-[[4-(p-tolylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)Cc2csc(n2)NC(=O)CN(C(C)C)C(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C24H24Cl2N4O3S/c1-14(2)30(23(33)19-9-6-16(25)10-20(19)26)12-22(32)29-24-28-18(13-34-24)11-21(31)27-17-7-4-15(3)5-8-17/h4-10,13-14H,11-12H2,1-3H3,(H,27,31)(H,28,29,32)
InChi Info:
AuxInfo=1/1/N:23,24,1,3,7,29,4,6,28,31,11,20,13,22,2,30,5,12,27,32,9,18,25,15,34,33,8,16,17,21,10,19,26,14/E:(1,2)(4,5)(7,8)/rA:34nCCCCCCCNCOCCCSCNNCOCNCCCCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;s14;s12d15;s15;s17;d18;s18;s20;s21;s22;s22;s21;d25;s25;s27;d28;s29;d30;d27s31;s32;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24Cl2N4O3S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8916 |
Area: | 736.795 |
Solvation: | -5.52824 |
Coulombic: | -62.6115 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 519.444 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.55 |
LogP (Chemaxon): | 5.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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