N-(2H-1,3-benzodioxol-5-yl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1251 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-7-chloro-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 424.86 |
| Molecular Formula: | C18 H17 Cl N2 O6 S |
| Smiles: | CS(N1CCC(C(Nc2ccc3c(c2)OCO3)=O)Oc2ccc(cc12)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7142 |
| logD: | 2.7141 |
| logSw: | -3.6057 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.76 |
| InChI Key: | TVWZMFXMMJSULV-MRXNPFEDSA-N |