1-(3,4-dichlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
1-(3,4-dichlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-0327 |
| Compound Name: | 1-(3,4-dichlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 575.52 |
| Molecular Formula: | C30 H24 Cl2 N4 O2 S |
| Smiles: | C1CCN2C(c3ccc(c(c3)[Cl])[Cl])=Nn3c(C(Nc4ccccc4)=S)c(c4ccc5c(c4)OCCO5)c(C1)c23 |
| Stereo: | ACHIRAL |
| logP: | 7.481 |
| logD: | 7.481 |
| logSw: | -7.0155 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.889 |
| InChI Key: | YEEUBDLUVAMYQR-UHFFFAOYSA-N |