7-(3,4-dihydroquinoline-1(2H)-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(3,4-dihydroquinoline-1(2H)-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(3,4-dihydroquinoline-1(2H)-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1532 |
| Compound Name: | 7-(3,4-dihydroquinoline-1(2H)-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 388.51 |
| Molecular Formula: | C19 H20 N2 O3 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N1CCCc2ccccc12)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1252 |
| logD: | 3.1249 |
| logSw: | -3.6445 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.543 |
| InChI Key: | SWCSTGXCRDEDSH-CYBMUJFWSA-N |