7-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G115-0100 |
| Compound Name: | 7-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-sulfonyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C23 H23 N3 O3 S2 |
| Smiles: | Cc1c(C2CCN(CC=2)S(c2ccc3c(c2)NC(CCS3)=O)(=O)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.8681 |
| logD: | 3.8679 |
| logSw: | -4.2829 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.756 |
| InChI Key: | RVJVDXOTICQKKQ-UHFFFAOYSA-N |