N-[(2-bromophenyl)methyl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-[(2-bromophenyl)methyl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0094 |
| Compound Name: | N-[(2-bromophenyl)methyl]-2-[(5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 427.32 |
| Molecular Formula: | C19 H15 Br N4 O S |
| Smiles: | C(c1ccccc1[Br])NC(CSc1c2c(c3ccccc3[nH]2)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9323 |
| logD: | 3.9314 |
| logSw: | -4.3687 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.971 |
| InChI Key: | PSMDCTYVFPHIOZ-UHFFFAOYSA-N |