N-(4-bromophenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
N-(4-bromophenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
N-(4-bromophenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8014-6042 |
| Compound Name: | N-(4-bromophenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 526.5 |
| Molecular Formula: | C29 H24 Br N3 S |
| Smiles: | C1CCN2C(=Cn3c(C(Nc4ccc(cc4)[Br])=S)c(c4ccccc4)c(C1)c23)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.9919 |
| logD: | 7.9918 |
| logSw: | -6.3062 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.1296 |
| InChI Key: | PXAJZAQIJTVCHM-UHFFFAOYSA-N |