2-(cyclopropylmethyl)-7-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-(cyclopropylmethyl)-7-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(cyclopropylmethyl)-7-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1694 |
| Compound Name: | 2-(cyclopropylmethyl)-7-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C20 H29 N5 O3 |
| Smiles: | Cc1cc(C(N2CCC3=NN(CC4CC4)C(N3CC2)=O)=O)c(C)n1CCOC |
| Stereo: | ACHIRAL |
| logP: | 1.4233 |
| logD: | 1.4223 |
| logSw: | -1.8257 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.009 |
| InChI Key: | OCBDVWMRBCWWJF-UHFFFAOYSA-N |