N-benzyl-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
N-benzyl-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
N-benzyl-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-0108 |
| Compound Name: | N-benzyl-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 506.67 |
| Molecular Formula: | C31 H30 N4 O S |
| Smiles: | Cc1ccc(cc1)C1=Nn2c(C(NCc3ccccc3)=S)c(c3ccc(cc3)OC)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 7.5306 |
| logD: | 7.5306 |
| logSw: | -5.9146 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.931 |
| InChI Key: | UXPMRZZFYPHFDD-UHFFFAOYSA-N |