4-(4-bromophenyl)-N-(2-methoxyphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
4-(4-bromophenyl)-N-(2-methoxyphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
4-(4-bromophenyl)-N-(2-methoxyphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-6946 |
| Compound Name: | 4-(4-bromophenyl)-N-(2-methoxyphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 587.54 |
| Molecular Formula: | C30 H27 Br N4 O2 S |
| Smiles: | COc1ccccc1NC(c1c(c2ccc(cc2)[Br])c2CCCCN3C(COc4ccccc4)=Nn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 8.1582 |
| logD: | 8.1582 |
| logSw: | -6.0446 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.353 |
| InChI Key: | NTSCHGKERWTOJW-UHFFFAOYSA-N |