N-(3-cyanophenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(3-cyanophenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-2499 |
| Compound Name: | N-(3-cyanophenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 429.52 |
| Molecular Formula: | C20 H19 N3 O4 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(Nc1cccc(C#N)c1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3003 |
| logD: | 2.2991 |
| logSw: | -3.002 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.417 |
| InChI Key: | XWBPNRGIHSBDPV-CYBMUJFWSA-N |