2-(methanesulfonyl)-N-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Chemical Structure Depiction of
2-(methanesulfonyl)-N-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
2-(methanesulfonyl)-N-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
Compound characteristics
| Compound ID: | S868-0363 |
| Compound Name: | 2-(methanesulfonyl)-N-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Smiles: | COc1cccc(CNC(c2ccc3CN(CCCn23)S(C)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.7134 |
| logD: | 1.7134 |
| logSw: | -2.5185 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.49 |
| InChI Key: | BXGIARCRIYFYJM-UHFFFAOYSA-N |