N-benzyl-1-[(5-chloro-2-methylanilino)methyl]-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
N-benzyl-1-[(5-chloro-2-methylanilino)methyl]-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
N-benzyl-1-[(5-chloro-2-methylanilino)methyl]-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8018-0587 |
| Compound Name: | N-benzyl-1-[(5-chloro-2-methylanilino)methyl]-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 540.13 |
| Molecular Formula: | C31 H30 Cl N5 S |
| Smiles: | Cc1ccc(cc1NCC1=Nn2c(C(NCc3ccccc3)=S)c(c3ccccc3)c3CCCCN1c23)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.534 |
| logD: | 7.534 |
| logSw: | -6.5059 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.052 |
| InChI Key: | KJJIFELYHJKLQN-UHFFFAOYSA-N |