ethyl 4-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]propanamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]propanamido}benzoate
ethyl 4-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]propanamido}benzoate
Compound characteristics
| Compound ID: | Y511-9999 |
| Compound Name: | ethyl 4-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]propanamido}benzoate |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C16 H19 N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C(C)Sc1nc(cc(N)n1)N)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.647 |
| logD: | 2.646 |
| logSw: | -3.242 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 102.6 |
| InChI Key: | JZBPQVQUXVPEQO-VIFPVBQESA-N |