N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8013-2368 |
| Compound Name: | N-(4-bromophenyl)-1-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 556.52 |
| Molecular Formula: | C30 H26 Br N3 O S |
| Smiles: | COc1ccc(cc1)c1c2CCCCN3C(=Cn(c1C(Nc1ccc(cc1)[Br])=S)c23)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 8.0793 |
| logD: | 8.0793 |
| logSw: | -6.0132 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.6734 |
| InChI Key: | VWOGZBRTDOBFBB-UHFFFAOYSA-N |