N-benzyl-1-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
N-benzyl-1-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
N-benzyl-1-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-1048 |
| Compound Name: | N-benzyl-1-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 505.68 |
| Molecular Formula: | C32 H31 N3 O S |
| Smiles: | Cc1ccc(cc1)C1=Cn2c(C(NCc3ccccc3)=S)c(c3ccc(cc3)OC)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 7.3214 |
| logD: | 7.3214 |
| logSw: | -5.9146 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.9955 |
| InChI Key: | PPVDNVKTZYQVGJ-UHFFFAOYSA-N |