methyl N-{[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-S-benzylcysteinate
Chemical Structure Depiction of
methyl N-{[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-S-benzylcysteinate
methyl N-{[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-S-benzylcysteinate
Compound characteristics
| Compound ID: | 8016-7604 |
| Compound Name: | methyl N-{[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-S-benzylcysteinate |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C17 H20 N4 O4 S2 |
| Smiles: | COC(C(CSCc1ccccc1)NC(CSC1NC(C=C(N)N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3877 |
| logD: | 0.3861 |
| logSw: | -2.0695 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.957 |
| InChI Key: | JEFSMOVTEBFFFR-LBPRGKRZSA-N |