Chemical ID: 4896454

CCc1c(c2ccc3c(c2oc1=O)CN(CO3)Cc4ccc(cc4)C)C
Chemical ID:
4896454
Name [?]:
None
SMILES [?]:
CCc1c(c2ccc3c(c2oc1=O)CN(CO3)Cc4ccc(cc4)C)C
InChi [?]:
InChI=1/C22H23NO3/c1-4-17-15(3)18-9-10-20-19(21(18)26-22(17)24)12-23(13-25-20)11-16-7-5-14(2)6-8-16/h5-10H,4,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,26,2,21,23,20,24,6,7,18,14,16,22,4,19,3,5,9,8,10,12,15,13,17,11/E:(5,6)(7,8)/rA:26cCCCCCCCCCCOCOCNCOCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s3s11;d12;s9;s14;s15;s8s16;s15;s18;s19;d20;s21;d22;d19s23;s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.2544
Area:556.746
Solvation:-3.66422
Coulombic:-33.0775
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:4.48
LogP (Chemaxon):5.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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