N-(2-methylphenyl)-4-(4-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
N-(2-methylphenyl)-4-(4-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
N-(2-methylphenyl)-4-(4-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-0147 |
| Compound Name: | N-(2-methylphenyl)-4-(4-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 506.67 |
| Molecular Formula: | C31 H30 N4 O S |
| Smiles: | Cc1ccc(cc1)c1c2CCCCN3C(COc4ccccc4)=Nn(c1C(Nc1ccccc1C)=S)c23 |
| Stereo: | ACHIRAL |
| logP: | 7.7894 |
| logD: | 7.7894 |
| logSw: | -5.9078 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.7226 |
| InChI Key: | ZKRUQHZLRRTJNO-UHFFFAOYSA-N |