4-(3,4-dichlorophenyl)-N,1-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
4-(3,4-dichlorophenyl)-N,1-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
4-(3,4-dichlorophenyl)-N,1-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8018-0574 |
| Compound Name: | 4-(3,4-dichlorophenyl)-N,1-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 516.49 |
| Molecular Formula: | C29 H23 Cl2 N3 S |
| Smiles: | C1CCN2C(=Cn3c(C(Nc4ccccc4)=S)c(c4ccccc4)c(C1)c23)c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.3548 |
| logD: | 8.3548 |
| logSw: | -7.1747 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.1296 |
| InChI Key: | QNACYDRZBXSWDC-UHFFFAOYSA-N |