N-[(2,4-dimethoxyphenyl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
N-[(2,4-dimethoxyphenyl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
N-[(2,4-dimethoxyphenyl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0398 |
| Compound Name: | N-[(2,4-dimethoxyphenyl)methyl]-2-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C19 H25 N3 O5 S |
| Smiles: | COc1ccc(CNC(c2ccc3CN(CCCn23)S(C)(=O)=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8358 |
| logD: | 1.8358 |
| logSw: | -2.6126 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.12 |
| InChI Key: | VSIRUMKESSQFJI-UHFFFAOYSA-N |