1-[(4-bromophenoxy)methyl]-N,4-bis(4-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
1-[(4-bromophenoxy)methyl]-N,4-bis(4-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
1-[(4-bromophenoxy)methyl]-N,4-bis(4-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8014-0133 |
| Compound Name: | 1-[(4-bromophenoxy)methyl]-N,4-bis(4-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 626.4 |
| Molecular Formula: | C29 H23 Br Cl2 N4 O S |
| Smiles: | C1CCN2C(COc3ccc(cc3)[Br])=Nn3c(C(Nc4ccc(cc4)[Cl])=S)c(c4ccc(cc4)[Cl])c(C1)c23 |
| Stereo: | ACHIRAL |
| logP: | 9.3009 |
| logD: | 9.3008 |
| logSw: | -7.4697 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4204 |
| InChI Key: | VMZUGMODLMOBDP-UHFFFAOYSA-N |