N,N'-bis(4-chlorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Chemical Structure Depiction of
N,N'-bis(4-chlorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N,N'-bis(4-chlorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | Y010-1607 |
| Compound Name: | N,N'-bis(4-chlorophenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 430.34 |
| Molecular Formula: | C21 H21 Cl2 N5 O |
| Smiles: | C1CCc2nnc(CN(C(Nc3ccc(cc3)[Cl])=O)c3ccc(cc3)[Cl])n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.5588 |
| logD: | 4.5588 |
| logSw: | -4.7292 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.682 |
| InChI Key: | AFWZILCRDPFVFI-UHFFFAOYSA-N |