1-{4-[6-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}propan-1-one
Chemical Structure Depiction of
1-{4-[6-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}propan-1-one
1-{4-[6-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | T409-0540 |
| Compound Name: | 1-{4-[6-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl}propan-1-one |
| Molecular Weight: | 404.57 |
| Molecular Formula: | C21 H32 N4 O2 S |
| Smiles: | CCC(N1CCN(CC1)c1nc2CCC(Cc2s1)C(N1CCCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.265 |
| logD: | 3.1592 |
| logSw: | -3.034 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.112 |
| InChI Key: | JXINOQSPCBNUDJ-MRXNPFEDSA-N |