methyl 2-{[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L320-0381 |
| Compound Name: | methyl 2-{[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 498.02 |
| Molecular Formula: | C24 H20 Cl N3 O3 S2 |
| Smiles: | COC(c1c2CCCCc2sc1NC(Nc1ccc(c(c1)[Cl])c1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.087 |
| logD: | 4.9296 |
| logSw: | -6.5899 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.879 |
| InChI Key: | KLWITXVFZDXRSU-UHFFFAOYSA-N |