4-(4-bromophenyl)-N-(4-ethoxyphenyl)-1-[(4-methoxyanilino)methyl]-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-bromophenyl)-N-(4-ethoxyphenyl)-1-[(4-methoxyanilino)methyl]-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-bromophenyl)-N-(4-ethoxyphenyl)-1-[(4-methoxyanilino)methyl]-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-5799 |
| Compound Name: | 4-(4-bromophenyl)-N-(4-ethoxyphenyl)-1-[(4-methoxyanilino)methyl]-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 630.61 |
| Molecular Formula: | C32 H32 Br N5 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(c1c(c2ccc(cc2)[Br])c2CCCCN3C(CNc4ccc(cc4)OC)=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 8.4507 |
| logD: | 8.4507 |
| logSw: | -6.0373 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.095 |
| InChI Key: | SMFCPOMGKLUJRU-UHFFFAOYSA-N |