7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-1254 |
| Compound Name: | 7-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 438.89 |
| Molecular Formula: | C19 H19 Cl N2 O6 S |
| Smiles: | CS(N1CCC(C(Nc2ccc3c(c2)OCCO3)=O)Oc2ccc(cc12)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8536 |
| logD: | 1.8535 |
| logSw: | -3.0193 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.467 |
| InChI Key: | VVAPXPHWVZOUBO-QGZVFWFLSA-N |