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2-hydroxy-3-[(2-{[(1R)-1-(4-isopropylfuran-2-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]-N,N-dimethylbenzamide

2-hydroxy-3-[(2-{[(1R)-1-(4-isopropylfuran-2-yl)propyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]-N,N-dimethylbenzamide

CAS: 473728-58-4

Formula: C23H27N3O5

SMILES: CC[C@@H](NC1=C(NC2=CC=CC(C(=O)N(C)C)=C2O)C(=O)C1=O)C1=CC(=CO1)C(C)C

IUPAC: 3-[(3,4-dioxo-2-{[(1R)-1-[4-(propan-2-yl)furan-2-yl]propyl]amino}cyclobut-1-en-1-yl)amino]-2-hydroxy-N,N-dimethylbenzamide

InChI: InChI=1S/C23H27N3O5/c1-6-15(17-10-13(11-31-17)12(2)3)24-18-19(22(29)21(18)28)25-16-9-7-8-14(20(16)27)23(30)26(4)5/h7-12,15,24-25,27H,6H2,1-5H3/t15-/m1/s1

Composition: C (64.93%), H (6.40%), N (9.88%), O (18.80%)

Molar Mass: 425.485

Atom Count: 58

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 425.195070981
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey DGKQQEVYYPCMNE-OAHLLOKOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.21
Topological Polar Surface Area 111.88
Polarizability 43.73
Ring Count 3
Rotatable Bond Count 8

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