N-butyl-N-[(furan-2-yl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-butyl-N-[(furan-2-yl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-butyl-N-[(furan-2-yl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-3379 |
| Compound Name: | N-butyl-N-[(furan-2-yl)methyl]-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 408.54 |
| Molecular Formula: | C19 H24 N2 O4 S2 |
| Smiles: | CCCCN(Cc1ccco1)S(c1ccc2c(c1)NC(C(C)CS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9872 |
| logD: | 3.9868 |
| logSw: | -3.7814 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.55 |
| InChI Key: | IYSVMCZCQRYYGH-CQSZACIVSA-N |