N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-[(4-methoxyphenyl)methyl]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'-[(4-methoxyphenyl)methyl]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'-[(4-methoxyphenyl)methyl]urea
Compound characteristics
| Compound ID: | S638-1004 |
| 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'-[(4-methoxyphenyl)methyl]urea |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C20 H27 N5 O3 |
| Smiles: | COc1ccc(CNC(NC2CCC3=NN(CC4CC4)C(N3CC2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0683 |
| logD: | 2.0623 |
| logSw: | -2.5182 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.063 |
| InChI Key: | DOHPXGWDJYRTKG-MRXNPFEDSA-N |