N-(3-fluorophenyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide
N-(3-fluorophenyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | T379-0027 |
| Compound Name: | N-(3-fluorophenyl)-4-(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~,2-thiazol-3-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C22 H23 F N4 O3 S |
| Smiles: | CC1=C(c2ccccc2)S(N=C1N1CCCN(CC1)C(Nc1cccc(c1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4092 |
| logD: | 3.4092 |
| logSw: | -3.8458 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.738 |
| InChI Key: | HGJLZUMSSIOAGQ-UHFFFAOYSA-N |