8-(4-methylpiperazine-1-carbonyl)-10-{[4-(trifluoromethyl)phenyl]methyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-(4-methylpiperazine-1-carbonyl)-10-{[4-(trifluoromethyl)phenyl]methyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-(4-methylpiperazine-1-carbonyl)-10-{[4-(trifluoromethyl)phenyl]methyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C380-0957 |
| Compound Name: | 8-(4-methylpiperazine-1-carbonyl)-10-{[4-(trifluoromethyl)phenyl]methyl}dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 511.57 |
| Molecular Formula: | C27 H24 F3 N3 O2 S |
| Smiles: | CN1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccc(cc1)C(F)(F)F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8661 |
| logD: | 4.7355 |
| logSw: | -4.5102 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.526 |
| InChI Key: | PXCIHLBUHNLVQN-UHFFFAOYSA-N |