1-{6-[2-(4-butylanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide
Chemical Structure Depiction of
1-{6-[2-(4-butylanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide
1-{6-[2-(4-butylanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide
Compound characteristics
| Compound ID: | L864-1759 |
| Compound Name: | 1-{6-[2-(4-butylanilino)-2-oxoethyl]-7-oxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-2-yl}-N-ethylpiperidine-3-carboxamide |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C25 H32 N6 O3 S |
| Smiles: | CCCCc1ccc(cc1)NC(CN1C=Nc2c(C1=O)sc(n2)N1CCCC(C1)C(NCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9939 |
| logD: | 3.9939 |
| logSw: | -3.9189 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.581 |
| InChI Key: | ITUZTQCZFMUISV-SFHVURJKSA-N |