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Chemical ID: 6007054
Chemical ID:
6007054
Name [?]:
N-isopropyl-2,6-dimethoxy-N-[(5-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(C(C)C)C(=O)c2c(cccc2OC)OC
InChi [?]:
InChI=1/C18H23N3O4S/c1-11(2)21(10-15(22)20-18-19-9-12(3)26-18)17(23)16-13(24-4)7-6-8-14(16)25-5/h6-9,11H,10H2,1-5H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:13,14,1,24,26,20,21,19,3,10,12,2,22,18,8,17,15,5,4,7,11,9,16,23,25,6/E:(1,2)(4,5)(7,8)(13,14)(24,25)/rA:26nCCCNCSNCOCNCCCCOCCCCCCOCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s12;s11;d15;s15;s17;d18;s19;d20;d17s21;s22;s23;s18;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.72718 |
Area: | 561.177 |
Solvation: | -7.30225 |
Coulombic: | -54.5068 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 377.459 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.44 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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