6-(3-chlorophenyl)-3-(2,6-dimethylphenyl)-2,5-bis(sulfanylidene)-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one--N,N-diethylethanamine (1/1)
Chemical Structure Depiction of
6-(3-chlorophenyl)-3-(2,6-dimethylphenyl)-2,5-bis(sulfanylidene)-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one--N,N-diethylethanamine (1/1)
6-(3-chlorophenyl)-3-(2,6-dimethylphenyl)-2,5-bis(sulfanylidene)-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one--N,N-diethylethanamine (1/1)
Compound characteristics
| Compound ID: | A0062752 |
| Compound Name: | 6-(3-chlorophenyl)-3-(2,6-dimethylphenyl)-2,5-bis(sulfanylidene)-2,3,5,6-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-7(4H)-one--N,N-diethylethanamine (1/1) |
| Molecular Weight: | 533.17 |
| Molecular Formula: | C19 H14 Cl N3 O S3 |
| Salt: | (C2H5)3N |
| Smiles: | Cc1cccc(C)c1N1C2=C(C(N(C(N2)=S)c2cccc(c2)[Cl])=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.9778 |
| logD: | 4.9761 |
| logSw: | -4.9805 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8995 |
| InChI Key: | DZQCSHCGELAKCM-UHFFFAOYSA-N |