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 |