5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6(3H)-dione
Chemical Structure Depiction of
5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6(3H)-dione
5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6(3H)-dione
Compound characteristics
| Compound ID: | 3611-0280 |
| Compound Name: | 5-(4-chlorophenyl)-2,8-bis(methylsulfanyl)-5,7-dihydro-4H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6(3H)-dione |
| Molecular Weight: | 420.89 |
| Molecular Formula: | C17 H13 Cl N4 O3 S2 |
| Smiles: | CSC1NC(C2C(C3=C(N=C(NC3=O)SC)OC=2N=1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3087 |
| logD: | 1.6306 |
| logSw: | -3.6997 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.873 |
| InChI Key: | KLWUIENBTVYNLB-UHFFFAOYSA-N |