6-butyl-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)[1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Chemical Structure Depiction of
6-butyl-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)[1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
6-butyl-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)[1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
Compound characteristics
| Compound ID: | P422-0746 |
| Compound Name: | 6-butyl-3-(3,4-dihydroisoquinoline-2(1H)-carbonyl)[1,2]thiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione |
| Molecular Weight: | 384.46 |
| Molecular Formula: | C19 H20 N4 O3 S |
| Smiles: | CCCCN1C(c2c(c(C(N3CCc4ccccc4C3)=O)sn2)NC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9316 |
| logD: | 2.4767 |
| logSw: | -3.2085 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.141 |
| InChI Key: | SMNHXHIVMWMTDK-UHFFFAOYSA-N |