N-benzyl-2-[2-methyl-4-oxo-7-(piperidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[2-methyl-4-oxo-7-(piperidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-benzyl-2-[2-methyl-4-oxo-7-(piperidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
Compound ID: | G640-0986 |
Compound Name: | N-benzyl-2-[2-methyl-4-oxo-7-(piperidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
Molecular Weight: | 487.64 |
Molecular Formula: | C24 H29 N3 O4 S2 |
Smiles: | CC1CC(N(CC(NCc2ccccc2)=O)c2cc(ccc2S1)S(N1CCCCC1)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4671 |
logD: | 3.4671 |
logSw: | -3.9595 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.132 |
InChI Key: | KMOPYBDOEYHZEF-GOSISDBHSA-N |