N,1-bis(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
N,1-bis(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
N,1-bis(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-1349 |
| Compound Name: | N,1-bis(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 521.68 |
| Molecular Formula: | C32 H31 N3 O2 S |
| Smiles: | Cc1ccc(cc1)C1=Cn2c(C(Nc3ccc(cc3)OC)=S)c(c3ccc(cc3)OC)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 7.7562 |
| logD: | 7.7562 |
| logSw: | -5.8854 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2171 |
| InChI Key: | YKPRXGQAHANBTN-UHFFFAOYSA-N |