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Chemical ID: 6001217
Chemical ID:
6001217
Name [?]:
N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-2-methyl-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)N(CC(=O)Nc1nc(c(s1)C)C)C(=O)c2ccccc2C
InChi [?]:
InChI=1/C19H25N3O2S/c1-6-13(3)22(18(24)16-10-8-7-9-12(16)2)11-17(23)21-19-20-14(4)15(5)25-19/h7-10,13H,6,11H2,1-5H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,4,16,15,2,22,21,23,20,6,24,3,12,13,19,7,17,10,11,9,5,8,18,14/rA:25cCCCCNCCONCNCCSCCCOCCCCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s13;s12;s5;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5233 |
Area: | 566.71 |
Solvation: | -3.6444 |
Coulombic: | -43.639 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 359.487 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.96 |
LogP (Chemaxon): | 3.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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