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Chemical ID: 4907763
Chemical ID:
4907763
Name [?]:
None
SMILES [?]:
CC1C2CN3CC=CC14C3C25c6ccccc6NC5C(C4)C(=O)OC
InChi [?]:
InChI=1/C21H24N2O2/c1-12-15-11-23-9-5-8-20(12)10-13(18(24)25-2)17-21(15,19(20)23)14-6-3-4-7-16(14)22-17/h3-8,12-13,15,17,19,22H,9-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,14,15,7,13,16,8,6,21,4,2,20,12,3,17,19,22,10,9,11,18,5,23,24/rA:25cCCCCNCCCCCCCCCCCCNCCCCOOC/rB:s1;s2;s3;s4;s5;s6;d7;s2s8;s5s9;s3s10;s11;s12;d13;s14;d15;d12s16;s17;s11s18;s19;s9s20;s20;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H24N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 21.7122 |
Area: | 0.0 |
Solvation: | 21.7122 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 30 |
Single: | 25 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 336.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.84 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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