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Chemical ID: 6007552
Chemical ID:
6007552
Name [?]:
4-ethyl-N-isopentyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)N(CCC(C)C)CC(=O)Nc2ncc(s2)C
InChi [?]:
InChI=1/C20H27N3O2S/c1-5-16-6-8-17(9-7-16)19(25)23(11-10-14(2)3)13-18(24)22-20-21-12-15(4)26-20/h6-9,12,14H,5,10-11,13H2,1-4H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,15,16,26,2,4,8,5,7,13,12,23,17,14,24,3,6,18,9,21,22,20,11,19,10,25/E:(2,3)(6,7)(8,9)/rA:26nCCCCCCCCCONCCCCCCCONCNCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s14;s11;s17;d18;s18;s20;d21;s22;d23;s21s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27N3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3819 |
Area: | 620.855 |
Solvation: | -4.13943 |
Coulombic: | -43.5688 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 373.513 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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