3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-methyl-6-[5-methyl-1-(4-methylphenyl)-1H-pyrazol-3-yl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-methyl-6-[5-methyl-1-(4-methylphenyl)-1H-pyrazol-3-yl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-methyl-6-[5-methyl-1-(4-methylphenyl)-1H-pyrazol-3-yl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | V015-1260 |
| Compound Name: | 3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-7-methyl-6-[5-methyl-1-(4-methylphenyl)-1H-pyrazol-3-yl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C27 H29 N5 O4 S |
| Smiles: | CC1=C(C(N2C(CC(N3CCC4(CC3)OCCO4)=O)=CSC2=N1)=O)c1cc(C)n(c2ccc(C)cc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4884 |
| logD: | 2.4884 |
| logSw: | -2.7081 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.482 |
| InChI Key: | XAFDKPQADBJBNV-UHFFFAOYSA-N |