3-methyl-5-(4-methylbenzene-1-sulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
3-methyl-5-(4-methylbenzene-1-sulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
3-methyl-5-(4-methylbenzene-1-sulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | D479-0140 |
| Compound Name: | 3-methyl-5-(4-methylbenzene-1-sulfonyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 330.4 |
| Molecular Formula: | C17 H18 N2 O3 S |
| Smiles: | CC1CN(c2ccccc2NC1=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9273 |
| logD: | 2.9243 |
| logSw: | -3.495 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.612 |
| InChI Key: | ZYFHHLDTUUQIPU-ZDUSSCGKSA-N |