4-(4-bromophenyl)-1-(4-chlorophenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
4-(4-bromophenyl)-1-(4-chlorophenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
4-(4-bromophenyl)-1-(4-chlorophenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-8917 |
| Compound Name: | 4-(4-bromophenyl)-1-(4-chlorophenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 524.91 |
| Molecular Formula: | C26 H23 Br Cl N3 S |
| Smiles: | C=CCNC(c1c(c2ccc(cc2)[Cl])c2CCCCN3C(=Cn1c23)c1ccc(cc1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 7.444 |
| logD: | 7.444 |
| logSw: | -7.1964 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 13.5647 |
| InChI Key: | ZTQJLDJUKOSECO-UHFFFAOYSA-N |