Chemical ID: 4581480

Cc1ccccc1C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CCOC
Chemical ID:
4581480
Name [?]:
None
SMILES [?]:
Cc1ccccc1C2c3c(c4ccccc4[nH]3)CC5N2C(=O)CN(C5=O)CCOC
InChi [?]:
InChI=1/C24H25N3O3/c1-15-7-3-4-8-16(15)23-22-18(17-9-5-6-10-19(17)25-22)13-20-24(29)26(11-12-30-2)14-21(28)27(20)23/h3-10,20,23,25H,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,30,4,5,13,14,3,6,12,15,27,28,18,23,2,7,11,10,16,19,21,9,8,25,17,24,20,22,26,29/rA:30cCCCCCCCCCCCCCCCCNCCNCOCNCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s10;s18;s8s19;s20;d21;s21;s23;s19s24;d25;s24;s27;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:9.02469
Area:587.121
Solvation:-5.65334
Coulombic:-52.0207
Bond Count [?]
All:34
Single:25
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:403.474
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.19
LogP (Chemaxon):2.61

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Descriptor Annotations

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