5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methylphenyl)methyl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methylphenyl)methyl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methylphenyl)methyl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0665 |
| Compound Name: | 5-chloro-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)-N-[(4-methylphenyl)methyl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 451.99 |
| Molecular Formula: | C20 H22 Cl N3 O3 S2 |
| Smiles: | Cc1ccc(CN(C2CCS(C2)(=O)=O)C(c2c(cnc(n2)SCC=C)[Cl])=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2228 |
| logD: | 3.2228 |
| logSw: | -3.3064 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.445 |
| InChI Key: | NQNSMZZZJJPTAA-INIZCTEOSA-N |