4-(4-bromophenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-bromophenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-bromophenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-6952 |
| Compound Name: | 4-(4-bromophenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 557.51 |
| Molecular Formula: | C29 H25 Br N4 O S |
| Smiles: | COc1ccc(cc1)C1=Nn2c(C(Nc3ccccc3)=S)c(c3ccc(cc3)[Br])c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 8.2017 |
| logD: | 8.2017 |
| logSw: | -6.0281 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.6092 |
| InChI Key: | MLVTVVYTVBIWPD-UHFFFAOYSA-N |