methyl [4-({2-[(2,3-dihydro-1H-inden-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
methyl [4-({2-[(2,3-dihydro-1H-inden-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
methyl [4-({2-[(2,3-dihydro-1H-inden-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0901 |
| Compound Name: | methyl [4-({2-[(2,3-dihydro-1H-inden-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C23 H23 N3 O3 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1ccc2CCCc2c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.138 |
| logD: | 4.1379 |
| logSw: | -4.2623 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.191 |
| InChI Key: | VTZHITJGKPMCHJ-UHFFFAOYSA-N |