N-butyl-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-butyl-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-butyl-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0824 |
| Compound Name: | N-butyl-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 455.59 |
| Molecular Formula: | C20 H29 N3 O5 S2 |
| Smiles: | CCCCNC(CN1C(C(C)CSc2ccc(cc12)S(N1CCOCC1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1509 |
| logD: | 2.1509 |
| logSw: | -2.9786 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.876 |
| InChI Key: | YJIAUZLHPXRRLJ-OAHLLOKOSA-N |