1-tert-butyl-4-(2,5-dimethoxyphenyl)-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-tert-butyl-4-(2,5-dimethoxyphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-tert-butyl-4-(2,5-dimethoxyphenyl)-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: | V019-6610 |
| Compound Name: | 1-tert-butyl-4-(2,5-dimethoxyphenyl)-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: | 564.7 |
| Molecular Formula: | C30 H36 N4 O5 S |
| Smiles: | CC(C)(C)n1c2c(C(c3cc(ccc3OC)OC)SCC(N2CC(N2CCOCC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9161 |
| logD: | 3.9161 |
| logSw: | -4.0689 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.467 |
| InChI Key: | MZOOXMFZEHWZHU-MUUNZHRXSA-N |