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Chemical ID: 6003662
Chemical ID:
6003662
Name [?]:
N-isopropyl-2-(4-methoxyphenyl)-N-[[4-oxo-3-(p-tolyl)imidazolidin-1-yl]carbonylmethyl]acetamide
SMILES [?]:
Cc1ccc(cc1)N2CN(CC2=O)C(=O)CN(C(C)C)C(=O)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C24H29N3O4/c1-17(2)26(22(28)13-19-7-11-21(31-4)12-8-19)15-23(29)25-14-24(30)27(16-25)20-9-5-18(3)6-10-20/h5-12,17H,13-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:19,20,1,31,3,7,25,29,4,6,26,28,23,11,16,9,18,2,24,5,27,21,14,12,10,17,8,22,15,13,30/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:31nCCCCCCCNCNCCOCOCNCCCCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s8s11;d12;s10;d14;s14;s16;s17;s18;s18;s17;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29N3O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5707 |
Area: | 669.656 |
Solvation: | -6.17072 |
Coulombic: | -55.4516 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 423.505 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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