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N-{[(4-chlorophenyl)carbamoyl]amino}-4-[4-(diphenylmethyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazole-3-carboxamide

N-{[(4-chlorophenyl)carbamoyl]amino}-4-[4-(diphenylmethyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazole-3-carboxamide

CAS: 338408-78-9

Formula: C30H29ClN6O4

SMILES: CC1=C(C(=O)N2CCN(CC2)C(C2=CC=CC=C2)C2=CC=CC=C2)C(=NO1)C(=O)NNC(=O)NC1=CC=C(Cl)C=C1

IUPAC: N-{[(4-chlorophenyl)carbamoyl]amino}-4-[4-(diphenylmethyl)piperazine-1-carbonyl]-5-methyl-1,2-oxazole-3-carboxamide

InChI: InChI=1S/C30H29ClN6O4/c1-20-25(26(35-41-20)28(38)33-34-30(40)32-24-14-12-23(31)13-15-24)29(39)37-18-16-36(17-19-37)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,27H,16-19H2,1H3,(H,33,38)(H2,32,34,40)

Composition: C (62.88%), H (5.10%), Cl (6.19%), N (14.67%), O (11.17%)

Molar Mass: 573.05

Atom Count: 70

Heavy Atom Count: 41

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 572.1938811
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey PJHVUNCCDAHLFN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 157.98
Topological Polar Surface Area 119.81
Polarizability 58.62
Ring Count 5
Rotatable Bond Count 7

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90% <2 Days 338408-78-9 $51.35-$86.31$51.35$63.37$86.31
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