4-(4-fluorophenyl)-N-(4-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-fluorophenyl)-N-(4-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-fluorophenyl)-N-(4-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-0027 |
| Compound Name: | 4-(4-fluorophenyl)-N-(4-methylphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 510.63 |
| Molecular Formula: | C30 H27 F N4 O S |
| Smiles: | Cc1ccc(cc1)NC(c1c(c2ccc(cc2)F)c2CCCCN3C(COc4ccccc4)=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 7.7015 |
| logD: | 7.7015 |
| logSw: | -5.9312 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4204 |
| InChI Key: | CMCBMEHAJIGUJA-UHFFFAOYSA-N |