N-[2-(cyclopropylmethyl)-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl]-N'-(3,4-dimethylphenyl)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'-(3,4-dimethylphenyl)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'-(3,4-dimethylphenyl)urea
Compound characteristics
| Compound ID: | S638-0975 |
| 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'-(3,4-dimethylphenyl)urea |
| Molecular Weight: | 369.47 |
| Molecular Formula: | C20 H27 N5 O2 |
| Smiles: | Cc1ccc(cc1C)NC(NC1CCC2=NN(CC3CC3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6281 |
| logD: | 3.6221 |
| logSw: | -3.6764 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.197 |
| InChI Key: | ODZSOOZJKLEFMV-MRXNPFEDSA-N |