4-(4-chlorophenyl)-N-(3-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-chlorophenyl)-N-(3-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-chlorophenyl)-N-(3-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-6927 |
| Compound Name: | 4-(4-chlorophenyl)-N-(3-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 527.09 |
| Molecular Formula: | C30 H27 Cl N4 O S |
| Smiles: | Cc1cccc(c1)NC(c1c(c2ccc(cc2)[Cl])c2CCCCN3C(COc4ccccc4)=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 8.2037 |
| logD: | 8.2037 |
| logSw: | -6.6091 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4204 |
| InChI Key: | IZDDUHRPSYKIIH-UHFFFAOYSA-N |