N,1-bis(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
N,1-bis(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
N,1-bis(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-0009 |
| Compound Name: | N,1-bis(4-methylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 476.64 |
| Molecular Formula: | C30 H28 N4 S |
| Smiles: | Cc1ccc(cc1)C1=Nn2c(C(Nc3ccc(C)cc3)=S)c(c3ccccc3)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 8.3189 |
| logD: | 8.3189 |
| logSw: | -6.1338 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.0655 |
| InChI Key: | OFHPOSZUSQVHGW-UHFFFAOYSA-N |