2-methyl-7-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
2-methyl-7-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
2-methyl-7-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-2310 |
| Compound Name: | 2-methyl-7-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C18 H21 N5 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N1CCN(CC1)c1ncccn1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2107 |
| logD: | 2.2103 |
| logSw: | -3.0152 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.724 |
| InChI Key: | VUQVHGAOXKYHRU-CYBMUJFWSA-N |