methyl 3-[(1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonyl)amino]benzoate
Chemical Structure Depiction of
methyl 3-[(1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonyl)amino]benzoate
methyl 3-[(1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonyl)amino]benzoate
Compound characteristics
| Compound ID: | P896-0148 |
| Compound Name: | methyl 3-[(1-oxo-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonyl)amino]benzoate |
| Molecular Weight: | 363.39 |
| Molecular Formula: | C16 H17 N3 O5 S |
| Smiles: | COC(c1cccc(c1)NS(c1cc2C(NCCCn2c1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3832 |
| logD: | 1.3781 |
| logSw: | -2.4413 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.786 |
| InChI Key: | SIBZWOVTJFUKQO-UHFFFAOYSA-N |