7-(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G115-0102 |
| Compound Name: | 7-(6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C18 H18 N2 O4 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7559 |
| logD: | 2.7557 |
| logSw: | -3.3724 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.494 |
| InChI Key: | JMCVIHPVGZCRES-UHFFFAOYSA-N |