4-(3,4-dimethoxyphenyl)-1-methyl-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
4-(3,4-dimethoxyphenyl)-1-methyl-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(3,4-dimethoxyphenyl)-1-methyl-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: | V030-0789 |
| Compound Name: | 4-(3,4-dimethoxyphenyl)-1-methyl-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: | 522.62 |
| Molecular Formula: | C27 H30 N4 O5 S |
| Smiles: | Cn1c2c(C(c3ccc(c(c3)OC)OC)SCC(N2CC(N2CCOCC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2316 |
| logD: | 2.2316 |
| logSw: | -2.7896 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.008 |
| InChI Key: | QMFYJOQPOGCMCR-AREMUKBSSA-N |