N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-0100 |
| Compound Name: | N,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 522.67 |
| Molecular Formula: | C31 H30 N4 O2 S |
| Smiles: | Cc1ccc(cc1)C1=Nn2c(C(Nc3ccc(cc3)OC)=S)c(c3ccc(cc3)OC)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 7.9653 |
| logD: | 7.9653 |
| logSw: | -5.892 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.153 |
| InChI Key: | PJHNHJWXBNXDID-UHFFFAOYSA-N |