8-[4-(3-methoxyphenyl)piperazine-1-carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-[4-(3-methoxyphenyl)piperazine-1-carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-[4-(3-methoxyphenyl)piperazine-1-carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C791-0065 |
| Compound Name: | 8-[4-(3-methoxyphenyl)piperazine-1-carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C25 H23 N3 O3 S |
| Smiles: | COc1cccc(c1)N1CCN(CC1)C(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1403 |
| logD: | 4.1401 |
| logSw: | -4.1925 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.628 |
| InChI Key: | NHJXLVRTXRUOIU-UHFFFAOYSA-N |