1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V020-3239 |
| Compound Name: | 1-(2,3-dimethylphenyl)-4-(3-fluorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 570.69 |
| Molecular Formula: | C32 H31 F N4 O3 S |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3cccc(c3)F)SCC(N2CC(N2CCOCC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3116 |
| logD: | 5.3116 |
| logSw: | -5.3503 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.025 |
| InChI Key: | IWKBIXXXDCABNF-WJOKGBTCSA-N |