6-(azepane-1-sulfonyl)-3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one
6-(azepane-1-sulfonyl)-3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F952-2797 |
| Compound Name: | 6-(azepane-1-sulfonyl)-3-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C25 H29 N3 O4 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)SC(N2CCC(N1CCc2ccccc2C1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4376 |
| logD: | 4.4376 |
| logSw: | -4.2884 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.886 |
| InChI Key: | AJHWMYDSGMEJPU-UHFFFAOYSA-N |