methyl S-benzyl-N-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetyl}cysteinate
Chemical Structure Depiction of
methyl S-benzyl-N-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetyl}cysteinate
methyl S-benzyl-N-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetyl}cysteinate
Compound characteristics
| Compound ID: | 8016-7959 |
| Compound Name: | methyl S-benzyl-N-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetyl}cysteinate |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C17 H21 N5 O3 S2 |
| Smiles: | COC(C(CSCc1ccccc1)NC(CSc1nc(cc(N)n1)N)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4096 |
| logD: | 1.4077 |
| logSw: | -2.2907 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 103.808 |
| InChI Key: | RPNDVTXUFKIAQC-LBPRGKRZSA-N |