1-[(4-bromophenoxy)methyl]-4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
1-[(4-bromophenoxy)methyl]-4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
1-[(4-bromophenoxy)methyl]-4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-0134 |
| Compound Name: | 1-[(4-bromophenoxy)methyl]-4-(4-chlorophenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 621.98 |
| Molecular Formula: | C30 H26 Br Cl N4 O2 S |
| Smiles: | COc1ccc(cc1)NC(c1c(c2ccc(cc2)[Cl])c2CCCCN3C(COc4ccc(cc4)[Br])=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 8.6885 |
| logD: | 8.6885 |
| logSw: | -7.2114 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.964 |
| InChI Key: | XLYCNTUJBAHHDB-UHFFFAOYSA-N |