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Chemical ID: 5973459
Chemical ID:
5973459
Name [?]:
N-(2-oxoazepan-3-yl)-5-[(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)methyl]furan-2-carboxamide
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)NC4CCCCNC4=O
InChi [?]:
InChI=1/C20H21N3O5/c24-18-12-27-16-7-2-1-6-15(16)23(18)11-13-8-9-17(28-13)20(26)22-14-5-3-4-10-21-19(14)25/h1-2,6-9,14H,3-5,10-12H2,(H,21,25)(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,2,23,24,22,6,3,14,15,25,12,10,13,21,5,4,16,8,27,18,26,20,7,9,28,19,11,17/rA:28cCCCCCCNCOCOCCCCCOCONCCCCCNCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;d13;s14;d15;s13s16;s16;d18;s18;s20;s21;s22;s23;s24;s25;s21s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.63987 |
Area: | 584.195 |
Solvation: | -4.96501 |
Coulombic: | -76.6747 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 383.398 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.19 |
LogP (Chemaxon): | -0.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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