N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-chlorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-chlorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-chlorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K784-5627 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-chlorobenzene-1-sulfonyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 633.12 |
| Molecular Formula: | C32 H29 Cl N4 O6 S |
| Smiles: | C1C2CN(CC1C1=CC=CC(N1C2)=O)c1ccc(cc1NS(c1ccc(cc1)[Cl])(=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | 5.152 |
| logD: | 2.6418 |
| logSw: | -5.7701 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.569 |
| InChI Key: | RZSFMUOKJFNTQP-UHFFFAOYSA-N |