ChemDB: Chemical Search
Download
Chemical ID: 6003243
Chemical ID:
6003243
Name [?]:
3,5-dichloro-N-isopentyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCC(C)C)C(=O)c2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C18H21Cl2N3O2S/c1-11(2)4-5-23(9-16(24)22-18-21-12(3)10-26-18)17(25)13-6-14(19)8-15(20)7-13/h6-8,10-11H,4-5,9H2,1-3H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:15,16,1,13,12,20,24,22,10,3,14,2,19,21,23,8,17,5,26,25,6,7,11,9,18,4/E:(1,2)(6,7)(14,15)(19,20)/rA:26nCCCSCNNCOCNCCCCCCOCCCCCCClCl/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;d20;s21;d22;d19s23;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21Cl2N3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9681 |
Area: | 626.81 |
Solvation: | -3.70214 |
Coulombic: | -43.6147 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 414.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.53 |
LogP (Chemaxon): | 4.28 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|