2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-phenylacetamide
Chemical Structure Depiction of
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-phenylacetamide
2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-phenylacetamide
Compound characteristics
| Compound ID: | M060-0446 |
| Compound Name: | 2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]-N-phenylacetamide |
| Molecular Weight: | 413.29 |
| Molecular Formula: | C18 H13 Br N4 O S |
| Smiles: | C(C(Nc1ccccc1)=O)Sc1c2c(c3cc(ccc3[nH]2)[Br])ncn1 |
| Stereo: | ACHIRAL |
| logP: | 3.922 |
| logD: | 3.9211 |
| logSw: | -4.1977 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.649 |
| InChI Key: | ICKFEFXEOOVLCM-UHFFFAOYSA-N |