1-[(4-bromophenoxy)methyl]-N-(2-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
1-[(4-bromophenoxy)methyl]-N-(2-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
1-[(4-bromophenoxy)methyl]-N-(2-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-0136 |
| Compound Name: | 1-[(4-bromophenoxy)methyl]-N-(2-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 587.54 |
| Molecular Formula: | C30 H27 Br N4 O2 S |
| Smiles: | COc1ccccc1NC(c1c(c2ccccc2)c2CCCCN3C(COc4ccc(cc4)[Br])=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 8.0817 |
| logD: | 8.0816 |
| logSw: | -5.9664 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.353 |
| InChI Key: | ZRJVBTZUSQUVII-UHFFFAOYSA-N |