3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
Chemical Structure Depiction of
3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | L705-2666 |
| Compound Name: | 3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide |
| Molecular Weight: | 452.61 |
| Molecular Formula: | C20 H24 N2 O4 S3 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(NCCc1c(C)ccs1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3369 |
| logD: | 2.3367 |
| logSw: | -2.9118 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.543 |
| InChI Key: | AYWLDHZJINLQIT-CQSZACIVSA-N |