methyl (7,8-dimethyl-4-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (7,8-dimethyl-4-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (7,8-dimethyl-4-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0453 |
| Compound Name: | methyl (7,8-dimethyl-4-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | Cc1cccc(c1)NC(CSC1C=C(CC(=O)OC)Nc2cc(C)c(C)cc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6165 |
| logD: | 4.6165 |
| logSw: | -4.4226 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.904 |
| InChI Key: | YTVFMMDXAXPQJH-UHFFFAOYSA-N |