1-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrrole-3-carboxamide
Chemical Structure Depiction of
1-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrrole-3-carboxamide
1-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrrole-3-carboxamide
Compound characteristics
| Compound ID: | S638-0190 |
| Compound Name: | 1-(3-methoxypropyl)-2,5-dimethyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-1H-pyrrole-3-carboxamide |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C18 H27 N5 O3 |
| Smiles: | Cc1cc(C(NC2CCC3=NNC(N3CC2)=O)=O)c(C)n1CCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4437 |
| logD: | 1.4372 |
| logSw: | -2.138 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.578 |
| InChI Key: | FRWVVEABIGEVGN-CQSZACIVSA-N |