8-(4-ethylpiperazine-1-carbonyl)-10-[(3-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-(4-ethylpiperazine-1-carbonyl)-10-[(3-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-(4-ethylpiperazine-1-carbonyl)-10-[(3-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | K788-4557 |
| Compound Name: | 8-(4-ethylpiperazine-1-carbonyl)-10-[(3-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C27 H26 F N3 O2 S |
| Smiles: | CCN1CCN(CC1)C(c1ccc2c(c1)N(Cc1cccc(c1)F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4603 |
| logD: | 4.2841 |
| logSw: | -4.2433 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.586 |
| InChI Key: | XGCGGJKXQRWBLG-UHFFFAOYSA-N |