6-butyl-3-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-butyl-3-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-butyl-3-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018894 |
| Compound Name: | 6-butyl-3-(2-phenylethyl)-5-{[(pyridin-4-yl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 468.66 |
| Molecular Formula: | C23 H24 N4 O S3 |
| Smiles: | CCCCN1C(=NC2=C(C1=O)SC(N2CCc1ccccc1)=S)SCc1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5876 |
| logD: | 4.5805 |
| logSw: | -4.1369 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 37.834 |
| InChI Key: | GPMXLBZCEIAQJM-UHFFFAOYSA-N |