N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0114 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | CN1C(c2ccccc2Sc2ccc(cc12)NC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0617 |
| logD: | 4.0617 |
| logSw: | -4.2165 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.178 |
| InChI Key: | YRQVEWNQLFLYIJ-UHFFFAOYSA-N |