3-tert-butyl-1-(2,4-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-tert-butyl-1-(2,4-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-tert-butyl-1-(2,4-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: | V027-8455 |
| Compound Name: | 3-tert-butyl-1-(2,4-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: | 538.73 |
| Molecular Formula: | C28 H34 N4 O3 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(C)c1)n1c2c(C(c3cccs3)SCC(N2CC(N2CCOCC2)=O)=O)c(C(C)(C)C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0047 |
| logD: | 5.0047 |
| logSw: | -4.6248 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.315 |
| InChI Key: | YJXQSCURDHRSEO-VWLOTQADSA-N |