Chemical ID: 5973459

c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)NC4CCCCNC4=O
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

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Descriptor Annotations

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