6-butyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
6-butyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
6-butyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | A0018905 |
| Compound Name: | 6-butyl-5-{[(4-chlorophenyl)methyl]sulfanyl}-3-(2-methoxyphenyl)-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 504.09 |
| Molecular Formula: | C23 H22 Cl N3 O2 S3 |
| Smiles: | CCCCN1C(=NC2=C(C1=O)SC(N2c1ccccc1OC)=S)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8234 |
| logD: | 5.8234 |
| logSw: | -5.7462 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 35.145 |
| InChI Key: | PUBCZTSFXDFTIC-UHFFFAOYSA-N |