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Chemical ID: 6001009
Chemical ID:
6001009
Name [?]:
N-isopropyl-2-methoxy-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CC(C)N(CC(=O)Nc1nccs1)C(=O)c2ccccc2OC
InChi [?]:
InChI=1/C16H19N3O3S/c1-11(2)19(10-14(20)18-16-17-8-9-23-16)15(21)12-6-4-5-7-13(12)22-3/h4-9,11H,10H2,1-3H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,3,23,18,19,17,20,11,12,5,2,16,21,6,14,9,10,8,4,7,15,22,13/E:(1,2)/rA:23nCCCNCCONCNCCSCOCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s4;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N3O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.23535 |
Area: | 506.565 |
Solvation: | -5.42878 |
Coulombic: | -49.2536 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.68 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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