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tert-butyl N-{4-[N'-(2,2,5,7,8-pentamethyl-3,4-dihydro-1-benzopyran-6-ylsulfonyl)carbamimidamido]butyl}carbamate

tert-butyl N-{4-[N'-(2,2,5,7,8-pentamethyl-3,4-dihydro-1-benzopyran-6-ylsulfonyl)carbamimidamido]butyl}carbamate

CAS: 1352925-66-6

Formula: C24H40N4O5S

SMILES: CC1=C2OC(C)(C)CCC2=C(C)C(=C1C)S(=O)(=O)NC(=N)NCCCCNC(=O)OC(C)(C)C

IUPAC: tert-butyl N-(4-{N'-[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonyl]carbamimidamido}butyl)carbamate

InChI: InChI=1S/C24H40N4O5S/c1-15-16(2)20(17(3)18-11-12-24(7,8)32-19(15)18)34(30,31)28-21(25)26-13-9-10-14-27-22(29)33-23(4,5)6/h9-14H2,1-8H3,(H,27,29)(H3,25,26,28)

Composition: C (58.04%), H (8.12%), N (11.28%), O (16.11%), S (6.46%)

Molar Mass: 496.67

Atom Count: 74

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 496.271941578
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey QVOUYWYKTBLHLW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 144.71
Topological Polar Surface Area 129.61
Polarizability 52.2
Ring Count 2
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 1352925-66-6 $760.00-$3,220.00$760.00$2,040.00$3,220.00
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