N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
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]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
Compound characteristics
| Compound ID: | S638-0994 |
| 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]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C20 H25 N5 O4 |
| Smiles: | C1CC2=NN(CC3CC3)C(N2CCC1NC(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6132 |
| logD: | 1.6072 |
| logSw: | -2.1335 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.02 |
| InChI Key: | MYPDDLOSHDKZEN-CQSZACIVSA-N |