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Chemical ID: 5973117
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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