N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0457 |
| Compound Name: | N-[(4-tert-butylphenyl)methyl]-5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 468.04 |
| Molecular Formula: | C21 H26 Cl N3 O3 S2 |
| Smiles: | CC(C)(C)c1ccc(CN(C2CCS(C2)(=O)=O)C(c2c(cnc(n2)SC)[Cl])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9363 |
| logD: | 3.9363 |
| logSw: | -4.2301 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.445 |
| InChI Key: | HRPLQWMNSNTTEY-INIZCTEOSA-N |