methyl {4-[(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {4-[(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
methyl {4-[(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0071 |
| Compound Name: | methyl {4-[(2-{[2-(3,4-diethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C26 H31 N3 O5 S |
| Smiles: | CCOc1ccc(CCNC(CSC2C=C(CC(=O)OC)Nc3ccccc3N=2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.7892 |
| logD: | 2.7892 |
| logSw: | -3.4115 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.488 |
| InChI Key: | SUQYTPCRCHOKAC-UHFFFAOYSA-N |