N,1-bis(4-chlorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
N,1-bis(4-chlorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
N,1-bis(4-chlorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8018-0571 |
| Compound Name: | N,1-bis(4-chlorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 530.52 |
| Molecular Formula: | C30 H25 Cl2 N3 S |
| Smiles: | Cc1ccc(cc1)C1=Cn2c(C(Nc3ccc(cc3)[Cl])=S)c(c3ccc(cc3)[Cl])c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 8.9809 |
| logD: | 8.9809 |
| logSw: | -7.1999 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.1296 |
| InChI Key: | MCQOKTLNMGUFRY-UHFFFAOYSA-N |