8-(4-ethylpiperazine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-(4-ethylpiperazine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-(4-ethylpiperazine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C791-0108 |
| Compound Name: | 8-(4-ethylpiperazine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Smiles: | CCN1CCN(CC1)C(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5599 |
| logD: | 2.3835 |
| logSw: | -3.2253 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.361 |
| InChI Key: | PLQSVZYHSIPNHW-UHFFFAOYSA-N |