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Chemical ID: 6009903
Chemical ID:
6009903
Name [?]:
N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-(tetrahydrofuran-2-ylmethyl)heptanamide
SMILES [?]:
CCCCCCC(=O)N(CC1CCCO1)CC(=O)Nc2cc(on2)C
InChi [?]:
InChI=1/C18H29N3O4/c1-3-4-5-6-9-18(23)21(12-15-8-7-10-24-15)13-17(22)19-16-11-14(2)25-20-16/h11,15H,3-10,12-13H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,3,4,5,13,12,6,14,21,10,16,22,11,20,17,7,19,24,9,18,8,15,23/rA:25cCCCCCCCONCCCCCOCCONCCCONC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s11s14;s9;s16;d17;s17;s19;s20;d21;s22;d20s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29N3O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.272 |
Area: | 612.116 |
Solvation: | -5.03094 |
Coulombic: | -47.8565 |
Bond Count [?]
All: | 26 |
Single: | 22 |
Double: | 4 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 351.441 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.76 |
LogP (Chemaxon): | 2.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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