ChemDB: Chemical Search
Download
Chemical ID: 7189570
Chemical ID:
7189570
Name [?]:
isopropyl 2-amino-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate
SMILES [?]:
Cc1c(c(c(s1)N)C(=O)OC(C)C)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H16ClNO2S/c1-8(2)19-15(18)13-12(9(3)20-14(13)17)10-4-6-11(16)7-5-10/h4-8H,17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:12,13,1,15,19,16,18,11,2,14,17,3,4,5,8,20,7,9,10,6/E:(1,2)(4,5)(6,7)/rA:20nCCCCCSNCOOCCCCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s11;s3;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16ClNO2S |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6671 |
Area: | 488.966 |
Solvation: | -1.55702 |
Coulombic: | -38.8318 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 309.812 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.13 |
LogP (Chemaxon): | 4.01 |
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 |
---|