4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-1049 |
| Compound Name: | 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 476.04 |
| Molecular Formula: | C27 H26 Cl N3 O S |
| Smiles: | COc1ccc(cc1)c1c2CCCCN3C(=Cn(c1C(NCC=C)=S)c23)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.5925 |
| logD: | 6.5925 |
| logSw: | -6.7567 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 21.1085 |
| InChI Key: | UIHUYSHATKFDKD-UHFFFAOYSA-N |