N-(2H-1,3-benzodioxol-5-yl)-N'-(3-methoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-(3-methoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
N-(2H-1,3-benzodioxol-5-yl)-N'-(3-methoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | G786-0788 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-(3-methoxyphenyl)-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]urea |
| Molecular Weight: | 435.48 |
| Molecular Formula: | C23 H25 N5 O4 |
| Smiles: | COc1cccc(c1)NC(N(Cc1nnc2CCCCCn12)c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3665 |
| logD: | 3.3665 |
| logSw: | -3.5147 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.341 |
| InChI Key: | MBZQQMVOVLAVBJ-UHFFFAOYSA-N |