5-chloro-3-[(2-methylanilino)methyl]-1,3-benzoxazole-2(3H)-thione
Chemical Structure Depiction of
5-chloro-3-[(2-methylanilino)methyl]-1,3-benzoxazole-2(3H)-thione
5-chloro-3-[(2-methylanilino)methyl]-1,3-benzoxazole-2(3H)-thione
Compound characteristics
| Compound ID: | 8005-2167 |
| Compound Name: | 5-chloro-3-[(2-methylanilino)methyl]-1,3-benzoxazole-2(3H)-thione |
| Molecular Weight: | 304.8 |
| Molecular Formula: | C15 H13 Cl N2 O S |
| Smiles: | Cc1ccccc1NCN1C(Oc2ccc(cc12)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 4.3563 |
| logD: | 4.3563 |
| logSw: | -4.5871 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.3367 |
| InChI Key: | AJCAVYDIOYKDPX-UHFFFAOYSA-N |