methyl [4-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
methyl [4-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
methyl [4-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0014 |
| Compound Name: | methyl [4-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1C=C(CC(=O)OC)Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6631 |
| logD: | 4.663 |
| logSw: | -4.3474 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.904 |
| InChI Key: | JNUMVOQQVMHTRD-UHFFFAOYSA-N |