1-{7-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{7-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
1-{7-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | G269-0208 |
| Compound Name: | 1-{7-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-sulfonyl]-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl}ethan-1-one |
| Molecular Weight: | 481.64 |
| Molecular Formula: | C25 H27 N3 O3 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCC(=CC1)c1c2ccccc2[nH]c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.624 |
| logD: | 4.624 |
| logSw: | -4.3645 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.987 |
| InChI Key: | DWZMUKAMBPJICY-UHFFFAOYSA-N |