2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]acetamide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]acetamide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | 4100-3811 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]acetamide |
| Molecular Weight: | 505.49 |
| Molecular Formula: | C18 H15 N7 O7 S2 |
| Smiles: | CN1C(c2c(ncn2CC(Nc2ncc(s2)S(c2ccc(cc2)[N+]([O-])=O)(=O)=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4373 |
| logD: | 1.4313 |
| logSw: | -2.5787 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 139.56 |
| InChI Key: | ZXBRPTBPPDWNIE-UHFFFAOYSA-N |