N-benzyl-4-[(4-methoxyanilino)methyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
N-benzyl-4-[(4-methoxyanilino)methyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
N-benzyl-4-[(4-methoxyanilino)methyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-8969 |
| Compound Name: | N-benzyl-4-[(4-methoxyanilino)methyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 534.72 |
| Molecular Formula: | C33 H34 N4 O S |
| Smiles: | Cc1ccc(cc1)c1c2CCCCN3C(CNc4ccc(cc4)OC)=Cn(c1C(NCc1ccccc1)=S)c23 |
| Stereo: | ACHIRAL |
| logP: | 7.214 |
| logD: | 7.214 |
| logSw: | -5.9146 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 31.4539 |
| InChI Key: | RCSIKAPZSKKTAM-UHFFFAOYSA-N |