N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
Chemical Structure Depiction of
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
Compound characteristics
| Compound ID: | D698-0043 |
| Compound Name: | N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyrimidine-5-sulfonamide |
| Molecular Weight: | 375.85 |
| Molecular Formula: | C13 H14 Cl N3 O4 S2 |
| Smiles: | CC1=C(C(NC(=N1)O)=O)S(NCCSc1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9802 |
| logD: | -5.6567 |
| logSw: | -2.677 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.618 |
| InChI Key: | RRTRPKBQSOKRAZ-UHFFFAOYSA-N |