1-[(4-bromophenoxy)methyl]-N-(3-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
1-[(4-bromophenoxy)methyl]-N-(3-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
1-[(4-bromophenoxy)methyl]-N-(3-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-0138 |
| Compound Name: | 1-[(4-bromophenoxy)methyl]-N-(3-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 571.54 |
| Molecular Formula: | C30 H27 Br N4 O S |
| Smiles: | Cc1cccc(c1)NC(c1c(c2ccccc2)c2CCCCN3C(COc4ccc(cc4)[Br])=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 8.3663 |
| logD: | 8.3663 |
| logSw: | -5.8395 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4204 |
| InChI Key: | LIFDVHOKGDYGFE-UHFFFAOYSA-N |