4-(3,4-dichlorophenyl)-1-(phenoxymethyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(3,4-dichlorophenyl)-1-(phenoxymethyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(3,4-dichlorophenyl)-1-(phenoxymethyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-6936 |
| Compound Name: | 4-(3,4-dichlorophenyl)-1-(phenoxymethyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 547.51 |
| Molecular Formula: | C29 H24 Cl2 N4 O S |
| Smiles: | C1CCN2C(COc3ccccc3)=Nn3c(C(Nc4ccccc4)=S)c(c4ccc(c(c4)[Cl])[Cl])c(C1)c23 |
| Stereo: | ACHIRAL |
| logP: | 8.1168 |
| logD: | 8.1168 |
| logSw: | -7.1553 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4204 |
| InChI Key: | RICSKXHOMVKSAI-UHFFFAOYSA-N |