Chemical ID: 6042083

Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC3CCCCNC3=O
Chemical ID:
6042083
Name [?]:
4-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-(2-oxoazepan-3-yl)-butanamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC3CCCCNC3=O
InChi [?]:
InChI=1/C19H25N3O4/c1-13-7-8-16-15(11-13)22(18(24)12-26-16)10-4-6-17(23)21-14-5-2-3-9-20-19(14)25/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,20,25)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,21,22,14,20,15,3,4,23,13,7,11,2,19,6,5,16,9,25,24,18,8,17,10,26,12/rA:26cCCCCCCCNCOCOCCCCONCCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s23;s19s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.20161
Area:579.042
Solvation:-5.27445
Coulombic:-65.3826
Bond Count [?]
All:28
Single:22
Double:6
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:359.42
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.49
LogP (Chemaxon):0.26

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