N-(3-bromophenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(3-bromophenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(3-bromophenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
Compound ID: | L705-1412 |
Compound Name: | N-(3-bromophenyl)-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
Molecular Weight: | 483.4 |
Molecular Formula: | C19 H19 Br N2 O4 S2 |
Smiles: | CC1CC(Nc2cc(ccc2S1)S(CCC(Nc1cccc(c1)[Br])=O)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.0422 |
logD: | 3.0408 |
logSw: | -3.5468 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.304 |
InChI Key: | JNTAUWQOIXYWOX-GFCCVEGCSA-N |