N-[(2-bromophenyl)methyl]-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-[(2-bromophenyl)methyl]-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0304 |
| Compound Name: | N-[(2-bromophenyl)methyl]-2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 445.31 |
| Molecular Formula: | C19 H14 Br F N4 O S |
| Smiles: | C(c1ccccc1[Br])NC(CSc1c2c(c3cc(ccc3[nH]2)F)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0118 |
| logD: | 4.0111 |
| logSw: | -4.3102 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.971 |
| InChI Key: | JBKHFRKVFGQMHC-UHFFFAOYSA-N |