7-(cyclohex-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-(cyclohex-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(cyclohex-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-5151 |
| Compound Name: | 7-(cyclohex-3-ene-1-carbonyl)-2-(cyclopropylmethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 316.4 |
| Molecular Formula: | C17 H24 N4 O2 |
| Smiles: | C1CC(CC=C1)C(N1CCC2=NN(CC3CC3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4446 |
| logD: | 2.4436 |
| logSw: | -2.1124 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.687 |
| InChI Key: | OFJIEPCRPPABKB-CQSZACIVSA-N |