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Chemical ID: 4902231
Chemical ID:
4902231
Name [?]:
None
SMILES [?]:
CC(C)OCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccccc4
InChi [?]:
InChI=1/C23H23NO4/c1-15(2)27-14-8-13-24-20(16-9-4-3-5-10-16)19-21(25)17-11-6-7-12-18(17)28-22(19)23(24)26/h3-7,9-12,15,20H,8,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,26,25,27,15,16,6,24,28,14,17,7,5,2,23,13,18,10,9,11,20,21,8,12,22,4,19/E:(1,2)(4,5)(9,10)/rA:28cCCCOCCCNCCCOCCCCCCOCCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s9;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3211 |
Area: | 591.623 |
Solvation: | -4.46944 |
Coulombic: | -44.2111 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 377.433 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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