N-(4-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F913-0254 |
| Compound Name: | N-(4-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C26 H31 N5 O3 S |
| Smiles: | C1CCCN(CC1)CCCNC(c1ccc(cc1)NC(c1nnc(COc2ccccc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5463 |
| logD: | 0.9757 |
| logSw: | -3.725 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.125 |
| InChI Key: | OFGBRMNDRAVLJD-UHFFFAOYSA-N |