N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[(2,3-dihydro-1,4-benzodioxine-6-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-[2-(cyclohex-1-en-1-yl)ethyl]-3-[(2,3-dihydro-1,4-benzodioxine-6-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-[2-(cyclohex-1-en-1-yl)ethyl]-3-[(2,3-dihydro-1,4-benzodioxine-6-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: | K784-5502 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[(2,3-dihydro-1,4-benzodioxine-6-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: | 630.76 |
| Molecular Formula: | C34 H38 N4 O6 S |
| Smiles: | C1CCC(CCNC(c2ccc(c(c2)NS(c2ccc3c(c2)OCCO3)(=O)=O)N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)=CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8959 |
| logD: | 3.2138 |
| logSw: | -4.2136 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.311 |
| InChI Key: | DUJHBHPXUIAOFI-UHFFFAOYSA-N |