1-[(4-chloroanilino)methyl]-4-(4-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
1-[(4-chloroanilino)methyl]-4-(4-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
1-[(4-chloroanilino)methyl]-4-(4-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8017-8873 |
| Compound Name: | 1-[(4-chloroanilino)methyl]-4-(4-fluorophenyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 544.09 |
| Molecular Formula: | C30 H27 Cl F N5 S |
| Smiles: | Cc1ccc(cc1)NC(c1c(c2ccc(cc2)F)c2CCCCN3C(CNc4ccc(cc4)[Cl])=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 8.3127 |
| logD: | 8.3127 |
| logSw: | -7.1817 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 34.427 |
| InChI Key: | CQHPEYMNXOLXND-UHFFFAOYSA-N |