N-[(4-tert-butylphenyl)methyl]-6-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[(4-tert-butylphenyl)methyl]-6-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
N-[(4-tert-butylphenyl)methyl]-6-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1345 |
| Compound Name: | N-[(4-tert-butylphenyl)methyl]-6-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 488 |
| Molecular Formula: | C25 H26 Cl N O5 S |
| Smiles: | CC(C)(C)c1ccc(CN(C2CCS(C2)(=O)=O)C(C2=CC(c3cc(ccc3O2)[Cl])=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5647 |
| logD: | 4.5647 |
| logSw: | -4.7344 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.678 |
| InChI Key: | WABFEBVMSSLPFU-IBGZPJMESA-N |