N-(4-{[3-(azepan-1-yl)butyl]carbamoyl}phenyl)-5-(methoxymethyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-{[3-(azepan-1-yl)butyl]carbamoyl}phenyl)-5-(methoxymethyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-{[3-(azepan-1-yl)butyl]carbamoyl}phenyl)-5-(methoxymethyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F913-1029 |
| Compound Name: | N-(4-{[3-(azepan-1-yl)butyl]carbamoyl}phenyl)-5-(methoxymethyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C22 H31 N5 O3 S |
| Smiles: | CC(CCNC(c1ccc(cc1)NC(c1nnc(COC)s1)=O)=O)N1CCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1297 |
| logD: | -0.8027 |
| logSw: | -2.7681 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.979 |
| InChI Key: | ZJTWMDXCHWYDES-INIZCTEOSA-N |