3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V003-9273 |
| Compound Name: | 3-(2,6-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 618.77 |
| Molecular Formula: | C32 H34 N4 O5 S2 |
| Smiles: | Cc1cccc(c1C)n1c2c(C(c3cccs3)SCC(N2CC(N2CCOCC2)=O)=O)c(c2c(cccc2OC)OC)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3102 |
| logD: | 4.3102 |
| logSw: | -4.4541 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.304 |
| InChI Key: | OQPULPGTTRJTPN-HKBQPEDESA-N |