1-[(4-chloroanilino)methyl]-N-(4-ethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
1-[(4-chloroanilino)methyl]-N-(4-ethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
1-[(4-chloroanilino)methyl]-N-(4-ethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-0004 |
| Compound Name: | 1-[(4-chloroanilino)methyl]-N-(4-ethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 540.13 |
| Molecular Formula: | C31 H30 Cl N5 S |
| Smiles: | CCc1ccc(cc1)NC(c1c(c2ccccc2)c2CCCCN3C(CNc4ccc(cc4)[Cl])=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 8.6858 |
| logD: | 8.6858 |
| logSw: | -6.8797 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 34.427 |
| InChI Key: | MKOGOPOLKMWAOY-UHFFFAOYSA-N |