methyl (4-{[2-(4-carbamoylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[2-(4-carbamoylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[2-(4-carbamoylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0905 |
| Compound Name: | methyl (4-{[2-(4-carbamoylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1ccc(cc1)C(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9707 |
| logD: | 1.9705 |
| logSw: | -2.5366 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.963 |
| InChI Key: | ZEGRQBRWMXVTMM-UHFFFAOYSA-N |