1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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-(2-methoxyphenyl)-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: | V002-4910 |
| Compound Name: | 1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-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: | 582.72 |
| Molecular Formula: | C33 H34 N4 O4 S |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3ccccc3OC)SCC(N2CC(N2CCOCC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3144 |
| logD: | 5.3144 |
| logSw: | -5.294 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.655 |
| InChI Key: | BMXMHGGHVFVVRM-JGCGQSQUSA-N |