4-[(4-chloroanilino)methyl]-1-(4-fluorophenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
4-[(4-chloroanilino)methyl]-1-(4-fluorophenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
4-[(4-chloroanilino)methyl]-1-(4-fluorophenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-8883 |
| Compound Name: | 4-[(4-chloroanilino)methyl]-1-(4-fluorophenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 493.05 |
| Molecular Formula: | C27 H26 Cl F N4 S |
| Smiles: | C=CCNC(c1c(c2ccc(cc2)F)c2CCCCN3C(CNc4ccc(cc4)[Cl])=Cn1c23)=S |
| Stereo: | ACHIRAL |
| logP: | 6.5318 |
| logD: | 6.5318 |
| logSw: | -7.0011 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 24.0231 |
| InChI Key: | QZXUYTDQWUUIKF-UHFFFAOYSA-N |