2-(ethylsulfanyl)-4-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-phenyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
2-(ethylsulfanyl)-4-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-phenyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
2-(ethylsulfanyl)-4-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-phenyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | L863-2104 |
| Compound Name: | 2-(ethylsulfanyl)-4-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-phenyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Weight: | 494.59 |
| Molecular Formula: | C24 H22 N4 O4 S2 |
| Smiles: | CCSc1nc2c(C(N(C(N2CC(N2CCOc3ccc(C)cc23)=O)=O)c2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1408 |
| logD: | 4.1408 |
| logSw: | -4.1709 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.313 |
| InChI Key: | PHHDYWOVCAUPSR-UHFFFAOYSA-N |