N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0568 |
| Compound Name: | N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 496.09 |
| Molecular Formula: | C23 H30 Cl N3 O3 S2 |
| Smiles: | CCCSc1ncc(c(C(N(Cc2ccc(cc2)C(C)(C)C)C2CCS(C2)(=O)=O)=O)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6681 |
| logD: | 4.6681 |
| logSw: | -4.8397 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.445 |
| InChI Key: | ZPDPLIJDCWYRJP-SFHVURJKSA-N |