N-(4-bromo-2-methylphenyl)-2-[6-methyl-5-(4-methylpiperazine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-[6-methyl-5-(4-methylpiperazine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
N-(4-bromo-2-methylphenyl)-2-[6-methyl-5-(4-methylpiperazine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | C138-1141 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2-[6-methyl-5-(4-methylpiperazine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 554.48 |
| Molecular Formula: | C21 H24 Br N5 O4 S2 |
| Smiles: | Cc1cc(ccc1NC(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCN(C)CC1)(=O)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.9208 |
| logD: | 1.8581 |
| logSw: | -2.8372 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.88 |
| InChI Key: | JKXMSMJYXFMRQX-UHFFFAOYSA-N |