N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2H-1,3-benzodioxole-5-carboxamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | S638-0846 |
| Compound Name: | N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 370.41 |
| Molecular Formula: | C19 H22 N4 O4 |
| Smiles: | C1CC2=NN(CC3CC3)C(N2CCC1NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2988 |
| logD: | 2.2928 |
| logSw: | -2.8628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.101 |
| InChI Key: | ODXNYHWSPIRXFY-CQSZACIVSA-N |