4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-8839 |
| Compound Name: | 4-(4-chlorophenyl)-N,1-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 542.1 |
| Molecular Formula: | C31 H28 Cl N3 O2 S |
| Smiles: | COc1ccc(cc1)c1c2CCCCN3C(=Cn(c1C(Nc1ccc(cc1)OC)=S)c23)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.9276 |
| logD: | 7.9276 |
| logSw: | -7.0651 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2171 |
| InChI Key: | CWRYPQFXOQUVEG-UHFFFAOYSA-N |