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Chemical ID: 6030148
Chemical ID:
6030148
Name [?]:
4-chloro-N-[[4-(dipropylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-isobutyl-benzamide
SMILES [?]:
CCCN(CCC)C(=O)Cc1csc(n1)NC(=O)CN(CC(C)C)C(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C24H33ClN4O3S/c1-5-11-28(12-6-2)22(31)13-20-16-33-24(26-20)27-21(30)15-29(14-17(3)4)23(32)18-7-9-19(25)10-8-18/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,26,27,30)
InChi Info:
AuxInfo=1/1/N:1,7,23,24,2,6,28,32,29,31,3,5,10,21,19,12,22,27,30,11,17,8,25,14,33,15,16,4,20,18,9,26,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:33nCCCNCCCCOCCCSCNNCOCNCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;s22;s22;s20;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33ClN4O3S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6938 |
Area: | 767.297 |
Solvation: | -5.48858 |
Coulombic: | -58.9291 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 493.063 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.82 |
LogP (Chemaxon): | 4.54 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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