N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0815 |
| Compound Name: | N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-[(propan-2-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 496.09 |
| Molecular Formula: | C23 H30 Cl N3 O3 S2 |
| Smiles: | CC(C)Sc1ncc(c(C(N(Cc2ccc(cc2)C(C)(C)C)C2CCS(C2)(=O)=O)=O)n1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7388 |
| logD: | 4.7388 |
| logSw: | -4.8386 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.445 |
| InChI Key: | OOFLVQUMGKBCDC-SFHVURJKSA-N |