3-amino-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
Chemical Structure Depiction of
3-amino-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
3-amino-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | 8014-2936 |
| Compound Name: | 3-amino-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide |
| Molecular Weight: | 419.59 |
| Molecular Formula: | C18 H21 N5 O S3 |
| Smiles: | CCSc1nnc(NC(c2c(c3cc4CCCCCCc4nc3s2)N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.4946 |
| logD: | 5.4875 |
| logSw: | -5.265 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.095 |
| InChI Key: | QDBSJVVUIMLICV-UHFFFAOYSA-N |