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Chemical ID: 4128457
Chemical ID:
4128457
Name [?]:
[4-(cyclohexylcarbonylaminoiminomethyl)phenyl] 3-phenylprop-2-enoate
SMILES [?]:
c1ccc(cc1)C=CC(=O)Oc2ccc(cc2)C=NNC(=O)C3CCCCC3
InChi [?]:
InChI=1/C23H24N2O3/c26-22(16-13-18-7-3-1-4-8-18)28-21-14-11-19(12-15-21)17-24-25-23(27)20-9-5-2-6-10-20/h1,3-4,7-8,11-17,20H,2,5-6,9-10H2,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,25,27,3,5,24,28,14,16,7,13,17,8,18,4,15,23,12,9,21,19,20,10,22,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:28nCCCCCCCCCOOCCCCCCCNNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;w18;s19;s20;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8801 |
Area: | 598.072 |
Solvation: | -4.07171 |
Coulombic: | -39.6848 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 2 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 376.448 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.96 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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