4-({3-[2-(adamantan-1-yl)ethyl]-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
Chemical Structure Depiction of
4-({3-[2-(adamantan-1-yl)ethyl]-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
4-({3-[2-(adamantan-1-yl)ethyl]-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 8012-9122 |
| Compound Name: | 4-({3-[2-(adamantan-1-yl)ethyl]-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid |
| Molecular Weight: | 566.12 |
| Molecular Formula: | C30 H32 Cl N3 O4 S |
| Smiles: | C1C2CC3CC1CC(CCN1\C(=N/c4ccc(cc4)[Cl])SC(CC1=O)C(Nc1ccc(cc1)C(O)=O)=O)(C2)C3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8561 |
| logD: | 4.4608 |
| logSw: | -6.241 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.559 |
| InChI Key: | ITKHCIMAFOKCEA-LBGLONNKSA-N |