1-[(4-chloroanilino)methyl]-4-(4-methylphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
1-[(4-chloroanilino)methyl]-4-(4-methylphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
1-[(4-chloroanilino)methyl]-4-(4-methylphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8017-8910 |
| Compound Name: | 1-[(4-chloroanilino)methyl]-4-(4-methylphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 490.07 |
| Molecular Formula: | C27 H28 Cl N5 S |
| Smiles: | Cc1ccc(cc1)c1c2CCCCN3C(CNc4ccc(cc4)[Cl])=Nn(c1C(NCC=C)=S)c23 |
| Stereo: | ACHIRAL |
| logP: | 6.9309 |
| logD: | 6.9309 |
| logSw: | -6.863 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.863 |
| InChI Key: | YHUZDAHMWWTIRC-UHFFFAOYSA-N |