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Chemical ID: 6030106
Chemical ID:
6030106
Name [?]:
2,4-dichloro-N-[[4-(hexylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-isobutyl-benzamide
SMILES [?]:
CCCCCCNC(=O)Cc1csc(n1)NC(=O)CN(CC(C)C)C(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C24H32Cl2N4O3S/c1-4-5-6-7-10-27-21(31)12-18-15-34-24(28-18)29-22(32)14-30(13-16(2)3)23(33)19-9-8-17(25)11-20(19)26/h8-9,11,15-16H,4-7,10,12-14H2,1-3H3,(H,27,31)(H,28,29,32)
InChi Info:
AuxInfo=1/1/N:1,23,24,2,3,4,5,29,28,6,31,10,21,19,12,22,30,11,27,32,8,17,25,14,34,33,7,15,16,20,9,18,26,13/E:(2,3)/rA:34nCCCCCCNCOCCCSCNNCOCNCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;s22;s22;s20;d25;s25;s27;d28;s29;d30;d27s31;s32;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32Cl2N4O3S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.7298 |
Area: | 810.949 |
Solvation: | -5.54392 |
Coulombic: | -63.967 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 527.507 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.23 |
LogP (Chemaxon): | 5.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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