N-[(3-methoxyphenyl)methyl]-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-[(3-methoxyphenyl)methyl]-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-2494 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C21 H24 N2 O5 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(NCc1cccc(c1)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2369 |
| logD: | 2.2367 |
| logSw: | -2.9009 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.227 |
| InChI Key: | VRWRAQDTXCKSOJ-CQSZACIVSA-N |