N-(adamantan-1-yl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethylacetamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethylacetamide
N-(adamantan-1-yl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethylacetamide
Compound characteristics
| Compound ID: | 8013-1676 |
| Compound Name: | N-(adamantan-1-yl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-ethylacetamide |
| Molecular Weight: | 421.02 |
| Molecular Formula: | C21 H25 Cl N2 O S2 |
| Smiles: | CCN(C(CSc1nc2cc(ccc2s1)[Cl])=O)C12CC3CC(CC(C3)C2)C1 |
| Stereo: | ACHIRAL |
| logP: | 6.4893 |
| logD: | 6.4892 |
| logSw: | -6.2609 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 23.8316 |
| InChI Key: | QTDDBMXIJMAGFB-UHFFFAOYSA-N |