N-(3-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
N-(3-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0249 |
| Compound Name: | N-(3-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C25 H29 N5 O3 S |
| Smiles: | C1CCCN(CC1)CCNC(c1cccc(c1)NC(c1nnc(COc2ccccc2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.724 |
| logD: | 2.7472 |
| logSw: | -3.9452 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.125 |
| InChI Key: | SYOASVJGRJTAIU-UHFFFAOYSA-N |