N-(2-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(2-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | M060-0377 |
Compound Name: | N-(2-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
Molecular Weight: | 473.35 |
Molecular Formula: | C20 H17 Br N4 O3 S |
Smiles: | COc1cc2c3c(c(ncn3)SCC(Nc3ccccc3[Br])=O)[nH]c2cc1OC |
Stereo: | ACHIRAL |
logP: | 3.2503 |
logD: | 3.2492 |
logSw: | -3.4938 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.212 |
InChI Key: | BGNUHPRXJYMWKE-UHFFFAOYSA-N |