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Chemical ID: 6042083
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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