N-{[4-(4-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl]methyl}aniline
Chemical Structure Depiction of
N-{[4-(4-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl]methyl}aniline
N-{[4-(4-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl]methyl}aniline
Compound characteristics
| Compound ID: | 8017-1032 |
| Compound Name: | N-{[4-(4-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl]methyl}aniline |
| Molecular Weight: | 376.89 |
| Molecular Formula: | C22 H21 Cl N4 |
| Smiles: | C1CCN2C(CNc3ccccc3)=Nn3cc(c4ccc(cc4)[Cl])c(C1)c23 |
| Stereo: | ACHIRAL |
| logP: | 5.6752 |
| logD: | 5.6752 |
| logSw: | -6.1683 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.5062 |
| InChI Key: | ZLEQWWJHTMCDBU-UHFFFAOYSA-N |