N-benzyl-1-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
N-benzyl-1-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
N-benzyl-1-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-9645 |
| Compound Name: | N-benzyl-1-(4-chlorophenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 496.07 |
| Molecular Formula: | C30 H26 Cl N3 S |
| Smiles: | C1CCN2C(=Cn3c(C(NCc4ccccc4)=S)c(c4ccc(cc4)[Cl])c(C1)c23)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.4053 |
| logD: | 7.4053 |
| logSw: | -6.8906 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 13.4517 |
| InChI Key: | VHUOXGRMJPAHEP-UHFFFAOYSA-N |