4-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(3-methylbutyl)-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-(3-methylbutyl)-1,4-diazepane-1-carboxamide
4-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(3-methylbutyl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | T379-0039 |
| Compound Name: | 4-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-(3-methylbutyl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C21 H29 F N4 O3 S |
| Smiles: | CC(C)CCNC(N1CCCN(CC1)C1C(C)=C(c2ccc(cc2)F)S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5269 |
| logD: | 3.5269 |
| logSw: | -3.7406 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.174 |
| InChI Key: | RCRFWFGCKWSQDC-UHFFFAOYSA-N |