8-(4-ethylpiperazine-1-carbonyl)-10-{[4-(trifluoromethyl)phenyl]methyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-(4-ethylpiperazine-1-carbonyl)-10-{[4-(trifluoromethyl)phenyl]methyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-(4-ethylpiperazine-1-carbonyl)-10-{[4-(trifluoromethyl)phenyl]methyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C380-0962 |
| Compound Name: | 8-(4-ethylpiperazine-1-carbonyl)-10-{[4-(trifluoromethyl)phenyl]methyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 525.59 |
| Molecular Formula: | C28 H26 F3 N3 O2 S |
| Smiles: | CCN1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccc(cc1)C(F)(F)F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2109 |
| logD: | 5.0347 |
| logSw: | -4.9226 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.586 |
| InChI Key: | QMYVKIJAQLMQID-UHFFFAOYSA-N |