4-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-[(furan-2-yl)methyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-[(furan-2-yl)methyl]-1,4-diazepane-1-carboxamide
4-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-[(furan-2-yl)methyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | T379-0012 |
| Compound Name: | 4-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-[(furan-2-yl)methyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C21 H23 F N4 O4 S |
| Smiles: | CC1=C(c2ccc(cc2)F)S(N=C1N1CCCN(CC1)C(NCc1ccco1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7681 |
| logD: | 2.7681 |
| logSw: | -3.2234 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.809 |
| InChI Key: | JICNIOMIABPDOK-UHFFFAOYSA-N |