N-(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-2799 |
| Compound Name: | N-(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 453.64 |
| Molecular Formula: | C20 H27 N3 O3 S3 |
| Smiles: | CCC(C)N(CCNS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)Cc1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3773 |
| logD: | 3.1335 |
| logSw: | -3.7052 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.19 |
| InChI Key: | YYNHZKMBOYVZMM-HNNXBMFYSA-N |