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Chemical ID: 6032838
Chemical ID:
6032838
Name [?]:
N-[[4-(diisopropylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-isopropyl-benzamide
SMILES [?]:
CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)N(C(C)C)C(C)C)C(=O)c2ccccc2
InChi [?]:
InChI=1/C23H32N4O3S/c1-15(2)26(22(30)18-10-8-7-9-11-18)13-20(28)25-23-24-19(14-31-23)12-21(29)27(16(3)4)17(5)6/h7-11,14-17H,12-13H2,1-6H3,(H,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,22,23,29,28,30,27,31,14,5,12,2,18,21,26,11,6,15,24,9,10,8,4,17,7,16,25,13/E:(1,2)(3,4,5,6)(8,9)(10,11)(16,17)/rA:31nCCCNCCONCNCCSCCONCCCCCCCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;s18;s17;s21;s21;s4;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N4O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5894 |
Area: | 668.695 |
Solvation: | -5.12799 |
Coulombic: | -58.3628 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 444.591 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.46 |
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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