6-chloro-7-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F184-1259 |
| Compound Name: | 6-chloro-7-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 489.98 |
| Molecular Formula: | C23 H24 Cl N3 O5 S |
| Smiles: | C1CN(CCC1C(N1CCc2ccccc2C1)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5175 |
| logD: | 2.4589 |
| logSw: | -3.3124 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.53 |
| InChI Key: | FHOVTFBJKCEDCF-UHFFFAOYSA-N |