methyl N-[(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetyl]methioninate
Chemical Structure Depiction of
methyl N-[(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetyl]methioninate
methyl N-[(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetyl]methioninate
Compound characteristics
| Compound ID: | Y043-5035 |
| Compound Name: | methyl N-[(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetyl]methioninate |
| Molecular Weight: | 379.43 |
| Molecular Formula: | C17 H21 N3 O5 S |
| Smiles: | COC([C@H](CCSC)NC(CC1C(Nc2ccccc2C(N1)=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6609 |
| logD: | 0.6485 |
| logSw: | -2.2114 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.498 |
| InChI Key: | QKNQURLZUKLWEG-UEWDXFNNSA-N |