6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018769 |
| Compound Name: | 6-cyclohexyl-3-(2,5-dimethoxyphenyl)-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 570.71 |
| Molecular Formula: | C26 H26 N4 O5 S3 |
| Smiles: | COc1ccc(c(c1)N1C2=C(C(N(C3CCCCC3)C(=N2)SCc2cccc(c2)[N+]([O-])=O)=O)SC1=S)OC |
| Stereo: | ACHIRAL |
| logP: | 6.0721 |
| logD: | 6.0721 |
| logSw: | -5.3271 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 75.042 |
| InChI Key: | KKGHYGLIAFIDGX-UHFFFAOYSA-N |