N-(4-{[4-(2-methoxy-5-methylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{[4-(2-methoxy-5-methylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[4-(2-methoxy-5-methylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V028-3932 |
| Compound Name: | N-(4-{[4-(2-methoxy-5-methylanilino)-1-(3-methoxypropyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 575.64 |
| Molecular Formula: | C30 H29 N3 O7 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(c1)NC1=C(C(N(CCCOC)C1=O)=O)Sc1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3914 |
| logD: | 4.3743 |
| logSw: | -4.2364 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.335 |
| InChI Key: | SENFABLXGKZQTJ-UHFFFAOYSA-N |