4-(4-bromophenyl)-1-(4-fluorophenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
4-(4-bromophenyl)-1-(4-fluorophenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
4-(4-bromophenyl)-1-(4-fluorophenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-1050 |
| Compound Name: | 4-(4-bromophenyl)-1-(4-fluorophenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 574.51 |
| Molecular Formula: | C30 H25 Br F N3 O S |
| Smiles: | COc1ccc(cc1)NC(c1c(c2ccc(cc2)F)c2CCCCN3C(=Cn1c23)c1ccc(cc1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 8.2134 |
| logD: | 8.2134 |
| logSw: | -6.0278 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.6734 |
| InChI Key: | AKMAWANHMJIDHK-UHFFFAOYSA-N |