5-[(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenoxy)methyl]-N-(3,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenoxy)methyl]-N-(3,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenoxy)methyl]-N-(3,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L083-1284 |
| Compound Name: | 5-[(4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenoxy)methyl]-N-(3,4-difluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C25 H24 F2 N4 O3 S |
| Smiles: | C1CCC(CCNC(c2ccc(cc2)OCc2nnc(C(Nc3ccc(c(c3)F)F)=O)s2)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4371 |
| logD: | 4.2688 |
| logSw: | -4.3827 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.004 |
| InChI Key: | MPCUYPXVZHUMKL-UHFFFAOYSA-N |