Chemical ID: 6007552

CCc1ccc(cc1)C(=O)N(CCC(C)C)CC(=O)Nc2ncc(s2)C
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

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Descriptor Annotations

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