N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D691-0121 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(9H-purin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 408.27 |
| Molecular Formula: | C15 H14 Br N5 O2 S |
| Smiles: | COc1ccc(cc1CNC(CSc1c2c(ncn1)[nH]cn2)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.0216 |
| logD: | 2.0214 |
| logSw: | -2.6368 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.636 |
| InChI Key: | GXCBTIUCMPMGQV-UHFFFAOYSA-N |