1-[(4-bromophenoxy)methyl]-4-(4-ethoxyphenyl)-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-ethoxyphenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
1-[(4-bromophenoxy)methyl]-4-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-0139 |
| Compound Name: | 1-[(4-bromophenoxy)methyl]-4-(4-ethoxyphenyl)-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 631.59 |
| Molecular Formula: | C32 H31 Br N4 O3 S |
| Smiles: | CCOc1ccc(cc1)c1c2CCCCN3C(COc4ccc(cc4)[Br])=Nn(c1C(Nc1ccc(cc1)OC)=S)c23 |
| Stereo: | ACHIRAL |
| logP: | 8.4628 |
| logD: | 8.4628 |
| logSw: | -6.0373 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.088 |
| InChI Key: | VMMBBIYGXONEDJ-UHFFFAOYSA-N |