Chemical ID: 4582712

Cc1c(c(=O)oc2c1ccc3c2CN(CO3)CC(C)c4ccccc4)C
Chemical ID:
4582712
Name [?]:
None
SMILES [?]:
Cc1c(c(=O)oc2c1ccc3c2CN(CO3)CC(C)c4ccccc4)C
InChi [?]:
InChI=1/C22H23NO3/c1-14(17-7-5-4-6-8-17)11-23-12-19-20(25-13-23)10-9-18-15(2)16(3)22(24)26-21(18)19/h4-10,14H,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:19,1,26,23,22,24,21,25,9,10,17,13,15,18,2,3,20,8,12,11,7,4,14,5,16,6/E:(5,6)(7,8)/rA:26cCCCCOOCCCCCCCNCOCCCCCCCCCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s12;s13;s14;s11s15;s14;s17;s18;s18;s20;d21;s22;d23;d20s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:10.3991
Area:555.235
Solvation:-3.48179
Coulombic:-33.6146
Bond Count [?]
All:29
Single:21
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:349.423
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.03
LogP (Chemaxon):5.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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