3-{2-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{2-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
3-{2-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SA53-0280 |
| Compound Name: | 3-{2-[4-benzyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C24 H26 N6 O3 |
| Smiles: | Cc1nc(C2CN(CCCN2Cc2ccccc2)C(CN2C(=O)Oc3ccccc23)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9673 |
| logD: | 1.9649 |
| logSw: | -2.4214 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.522 |
| InChI Key: | LGAMXAPBZZJFKC-FQEVSTJZSA-N |