Chemical ID: 5973117

CC(=O)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC3CCCCNC3=O
Chemical ID:
5973117
Name [?]:
4-(8-acetyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-(2-oxoazepan-3-yl)-butanamide
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC3CCCCNC3=O
InChi [?]:
InChI=1/C20H25N3O5/c1-13(24)14-7-8-17-16(11-14)23(19(26)12-28-17)10-4-6-18(25)22-15-5-2-3-9-21-20(15)27/h7-8,11,15H,2-6,9-10,12H2,1H3,(H,21,27)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,23,24,16,22,17,5,6,25,15,9,13,2,4,21,8,7,18,11,27,26,20,10,3,19,12,28,14/rA:28cCCOCCCCCCNCOCOCCCCONCCCCCNCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;s16;s17;d18;s18;s20;s21;s22;s23;s24;s25;s21s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.95724
Area:613.891
Solvation:-6.39003
Coulombic:-71.7543
Bond Count [?]
All:30
Single:23
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:387.43
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:0.89
LogP (Chemaxon):-0.9

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