5-{[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-{[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-{[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0651 |
| Compound Name: | 5-{[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C21 H28 F N5 O2 S2 |
| Smiles: | C1CCCN(CC1)CCCNC(CSCc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9023 |
| logD: | 0.2737 |
| logSw: | -3.3775 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.684 |
| InChI Key: | NKRHPGZQNGKBRH-UHFFFAOYSA-N |