8-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C791-0068 |
| Compound Name: | 8-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C28 H29 N3 O5 S |
| Smiles: | COc1ccc(CN2CCN(CC2)C(c2ccc3c(c2)NC(c2ccccc2S3)=O)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6612 |
| logD: | 3.4605 |
| logSw: | -3.8515 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.429 |
| InChI Key: | CZILCDVZSUIXKT-UHFFFAOYSA-N |