N-(6-methoxy-1,3-benzothiazol-2-yl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(6-methoxy-1,3-benzothiazol-2-yl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
N-(6-methoxy-1,3-benzothiazol-2-yl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C464-1277 |
| Compound Name: | N-(6-methoxy-1,3-benzothiazol-2-yl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C22 H24 N4 O5 S2 |
| Smiles: | CCC(N1CCc2cc(ccc12)S(NCCC(Nc1nc2ccc(cc2s1)OC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3352 |
| logD: | 3.335 |
| logSw: | -3.8678 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.716 |
| InChI Key: | JNUGZFYDVDYZBP-UHFFFAOYSA-N |