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Chemical ID: 6001123
Chemical ID:
6001123
Name [?]:
N-allyl-2,4-dimethoxy-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)N(CC=C)CC(=O)Nc2nccs2
InChi [?]:
InChI=1/C17H19N3O4S/c1-4-8-20(11-15(21)19-17-18-7-9-25-17)16(22)13-6-5-12(23-2)10-14(13)24-3/h4-7,9-10H,1,8,11H2,2-3H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:16,1,10,15,4,5,23,14,24,8,17,3,6,7,18,11,21,22,20,13,19,12,2,9,25/rA:25nCOCCCCCCOCCONCCCCCONCNCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;d15;s13;s17;d18;s18;s20;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N3O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.63108 |
Area: | 577.243 |
Solvation: | -6.8 |
Coulombic: | -56.7375 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 361.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.32 |
LogP (Chemaxon): | 1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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