1-{4-[7-(thiophene-3-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[7-(thiophene-3-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}ethan-1-one
1-{4-[7-(thiophene-3-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S905-0257 |
| Compound Name: | 1-{4-[7-(thiophene-3-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 373.48 |
| Molecular Formula: | C18 H23 N5 O2 S |
| Smiles: | CC(N1CCC(CC1)c1nnc2CCN(CCn12)C(c1ccsc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.48 |
| logD: | 0.479 |
| logSw: | -1.8172 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.125 |
| InChI Key: | IXOBIGWCPWZZQL-UHFFFAOYSA-N |