N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N-methyl-N'-[(4-methylphenyl)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-methyl-N'-[(4-methylphenyl)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-methyl-N'-[(4-methylphenyl)methyl]urea
Compound characteristics
| Compound ID: | S638-2768 |
| 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-methyl-N'-[(4-methylphenyl)methyl]urea |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C21 H29 N5 O2 |
| Smiles: | Cc1ccc(CNC(N(C)C2CCC3=NN(CC4CC4)C(N3CC2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8459 |
| logD: | 2.8399 |
| logSw: | -3.1819 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.192 |
| InChI Key: | FIEVKNUGJUQEHE-GOSISDBHSA-N |