methyl 4-{3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamido}benzoate
Chemical Structure Depiction of
methyl 4-{3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamido}benzoate
methyl 4-{3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | Y042-6253 |
| Compound Name: | methyl 4-{3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamido}benzoate |
| Molecular Weight: | 381.39 |
| Molecular Formula: | C20 H19 N3 O5 |
| Smiles: | COC(c1ccc(cc1)NC(CC[C@@H]1C(Nc2ccccc2C(N1)=O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4679 |
| logD: | 2.4574 |
| logSw: | -2.9066 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.274 |
| InChI Key: | OJAXEVVXQANBGK-INIZCTEOSA-N |