N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2-ethoxy-N-methylbenzamide
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]-2-ethoxy-N-methylbenzamide
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-2-ethoxy-N-methylbenzamide
Compound characteristics
| Compound ID: | S638-2505 |
| 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]-2-ethoxy-N-methylbenzamide |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Smiles: | CCOc1ccccc1C(N(C)C1CCC2=NN(CC3CC3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7376 |
| logD: | 2.7316 |
| logSw: | -3.12 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.259 |
| InChI Key: | JSNQSCUPIDZPFE-MRXNPFEDSA-N |