N-(4-methoxyphenyl)-2-{[7-oxo-6-(prop-2-en-1-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-{[7-oxo-6-(prop-2-en-1-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(4-methoxyphenyl)-2-{[7-oxo-6-(prop-2-en-1-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L387-6940 |
| Compound Name: | N-(4-methoxyphenyl)-2-{[7-oxo-6-(prop-2-en-1-yl)-2-(pyrrolidin-1-yl)-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C21 H23 N5 O3 S2 |
| Smiles: | COc1ccc(cc1)NC(CSC1=Nc2c(C(N1CC=C)=O)sc(n2)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9948 |
| logD: | 3.9948 |
| logSw: | -4.0246 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.929 |
| InChI Key: | IUOJTRQMFQDQKP-UHFFFAOYSA-N |