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Chemical ID: 4206531
Chemical ID:
4206531
Name [?]:
N-(3-carbamoyl-4-morpholino-phenyl)furan-2-carboxamide
SMILES [?]:
c1cc(oc1)C(=O)Nc2ccc(c(c2)C(=O)N)N3CCOCC3
InChi [?]:
InChI=1/C16H17N3O4/c17-15(20)12-10-11(18-16(21)14-2-1-7-23-14)3-4-13(12)19-5-8-22-9-6-19/h1-4,7,10H,5-6,8-9H2,(H2,17,20)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,10,11,19,23,5,20,22,14,9,13,12,3,15,6,17,8,18,16,7,21,4/E:(5,6)(8,9)/rA:23nCCCOCCONCCCCCCCONNCCOCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s12;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.51025 |
Area: | 504.791 |
Solvation: | -5.10952 |
Coulombic: | -68.5556 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 315.324 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 0.39 |
LogP (Chemaxon): | 0.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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