3-(5-chloro-2-methoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(5-chloro-2-methoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(5-chloro-2-methoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-3560 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-5-{[(4-methylphenyl)methyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 462.01 |
| Molecular Formula: | C20 H16 Cl N3 O2 S3 |
| Smiles: | Cc1ccc(CSC2NC(C3=C(N=2)N(C(=S)S3)c2cc(ccc2OC)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4951 |
| logD: | 4.4941 |
| logSw: | -4.6852 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.625 |
| InChI Key: | NSDLJRCRRNZOCY-UHFFFAOYSA-N |